cl Tadpole-like cationic single-chain nanoparticles display high cellular uptake By pubs.rsc.org Published On :: J. Mater. Chem. B, 2024, Advance ArticleDOI: 10.1039/D4TB01970A, PaperYen Vo, Radhika Raveendran, Cheng Cao, Linqing Tian, Rebecca Y. Lai, Martina H. StenzelSingle-chain nanoparticles with cationic polymer blocks arranged in a tadpole structure display the highest cellular uptake.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
cl Multimodal layer-by-layer nanoparticles: a breakthrough in gene and drug delivery for osteosarcoma By pubs.rsc.org Published On :: J. Mater. Chem. B, 2024, Advance ArticleDOI: 10.1039/D4TB01541J, Paper Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Eugenia Crisafulli, Annachiara Scalzone, Chiara Tonda-Turo, Joel Girón-Hernández, Piergiorgio GentileThis study explored biodegradable nanoparticles for treating osteosarcoma. Co-delivery of miRNA-34a, doxorubicin, and resveratrol by LbL nanocoating enhanced apoptosis and cell disruption with promise to improve efficacy and reduce drug resistance.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
cl Sodium lanthanide tungstate-based nanoparticles as bimodal contrast agents for in vivo high-field MRI and CT imaging By pubs.rsc.org Published On :: J. Mater. Chem. B, 2024, 12,11123-11133DOI: 10.1039/D4TB01157K, Paper Open Access   This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Elisabet Gómez-González, Carlos Caro, Nuria O. Núñez, Daniel González-Mancebo, Jesús D. Urbano-Gámez, Maria L. García-Martín, Manuel OcañaNaLn(WO4)2 (Ln = Dy or Ho) nanoparticles functionalized with polyacrylic acid exhibit excellent performance as bimodal contrast agents for high-field MRI and X-ray computed tomography bioimaging and show tumor targeting ability through the EPR effect.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
cl Nordihydroguaiaretic acid microparticles are effective in the treatment of osteoarthritis By pubs.rsc.org Published On :: J. Mater. Chem. B, 2024, 12,11172-11186DOI: 10.1039/D4TB01342E, PaperKaamini M. Dhanabalan, Bhagyashree Padhan, Ameya A. Dravid, Smriti Agarwal, Nicholas M. Pancheri, Angela Lin, Nick J. Willet, Ashok Kumar Padmanabhan, Rachit AgarwalSustained delivery of NDGA via polymeric microparticles maintains therapeutic levels in joints, reduces cartilage damage, and alleviates post-traumatic osteoarthritis (PTOA) in mice through ROS modulation and autophagy induction.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
cl Correction: Blood-clotting model and simulation analysis of polyvinyl alcohol–chitosan composite hemostatic materials By pubs.rsc.org Published On :: J. Mater. Chem. B, 2024, 12,11265-11266DOI: 10.1039/D4TB90174F, Correction Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Yifan Zhao, Junhong Hao, Zexin Chen, Mengmeng Li, Jianxun Ren, Xiaobing FuThe content of this RSS Feed (c) The Royal Society of Chemistry Full Article
cl Navigating predictions at nanoscale: a comprehensive study of regression models in magnetic nanoparticle synthesis By pubs.rsc.org Published On :: J. Mater. Chem. B, 2024, Advance ArticleDOI: 10.1039/D4TB02052A, Paper Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Lukas Glänzer, Lennart Göpfert, Thomas Schmitz-Rode, Ioana SlabuThe transformative power of support vector regression in optimizing magnetic nanoparticle synthesis intricate relationships between process parameters and particle size, enabling the production of particles with tailored properties.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
cl Lactobionic acid modified cobalt coordination polymer-coated peroxymonosulfate nanoparticles generate sulfate/hydroxy dual-radicals for targeted cancer therapy By pubs.rsc.org Published On :: J. Mater. Chem. B, 2024, Advance ArticleDOI: 10.1039/D4TB01777C, PaperJiahui Li, Jiaxuan Li, Zelong Chen, Yichen Wan, Yi Wang, Zhichao Pei, Yuxin PeiLCP NPs were prepared by forming a coordination polymer on peroxymonosulfate through the coordination between imidazole-2-carboxaldehyde and Co2+, then modified with lactobionic acid to improve the efficacy of sulfate/hydroxy dual-radical therapy.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
cl Enhanced Luminescence and Stability of TFMDSA Nanoparticles via Polymer-Induced aggregation for Bioimaging By pubs.rsc.org Published On :: J. Mater. Chem. B, 2024, Accepted ManuscriptDOI: 10.1039/D4TB01825G, PaperXiang Li, Xue Ren, Yuchao Luo, Haotian Shi, Zhigang Xie, Bin Xu, Wenjing TianIn recent years, fluorescence imaging occupies a very important position in the life science and biomedical fields. However, achieving nanomaterials for bioimaging with both high fluorescence quantum efficiency and high...The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
cl Polycyclic aromatic polymer nanoparticles show potent infectious particle adsorption capability By pubs.rsc.org Published On :: J. Mater. Chem. B, 2024, Accepted ManuscriptDOI: 10.1039/D4TB01793E, PaperYudai Oishi, Mako Toyoda, Nanami Hano, Chihiro Motozono, Takamasa Ueno, Makoto TakafujiNonspecific viral adsorption by polymer nanoparticles is more economical and superior in terms of operating cost and energy efficiency than viral adsorption using virus-specific antibodies and filtration techniques involving size...The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
cl Nano-Bio Interactions of Gum Arabic-Stabilized Lanthanide-based Upconverting Nanoparticles: In Vitro and In Vivo Study By pubs.rsc.org Published On :: J. Mater. Chem. B, 2024, Accepted ManuscriptDOI: 10.1039/D4TB01579G, PaperHana Mirmajidi, Hyojin Lee, Niepukolie Nipu, Jith Thomas, Zuzana Gajdosechova, David Kennedy, Jan A. Mennigen, Eva HemmerLanthanide-based nanoparticles (Ln-NPs) are highly valued for their unique optical and magnetic properties, making them useful in various scientific fields, including materials science and biomedicine. This study investigated the use...The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
cl Extracellular matrix mimetic supramolecular hydrogels reinforced with covalent crosslinked mesoporous silica nanoparticles By pubs.rsc.org Published On :: J. Mater. Chem. B, 2024, Advance ArticleDOI: 10.1039/D4TB00499J, Paper Open Access   This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Aygül Zengin, Shahzad Hafeez, Pamela Habibovic, Matthew Baker, Sabine van RijtHere 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
cl Mitochondrial membrane potential-independent near-infrared fluorescent probes for viscosity-exclusive imaging By pubs.rsc.org Published On :: J. Mater. Chem. B, 2024, Advance ArticleDOI: 10.1039/D4TB01785D, PaperXiu Pan, Yu Zhao, Jia-Li Wang, Shun Feng, Xiao-Qi Yu, Ming-Yu WuA novel mitochondrial targeting mitochondrial membrane potential-independent near-infrared fluorescent probe, ACR-DMA, was developed which can be firmly immobilized in mitochondria for tracking of mitochondrial viscosity changes in vitro and in vivo.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
cl Nanoparticles based image-guided thermal therapy and temperature feedback By pubs.rsc.org Published On :: J. Mater. Chem. B, 2024, Accepted ManuscriptDOI: 10.1039/D4TB01416B, Review ArticleCarlos Jacinto, Wagner Ferreira Silva, Joel Garcia, Gelo P. Zaragosa, Carlo Nonato De Jesus Ilem, Tasso O. Sales, Harrison D. A. Santos, Blessed Isaac C. Conde, Helliomar Pereira Barbosa, Sonia Malik, Surender Kumar SharmaNanoparticles have emerged as versatile tools in the realm of thermal therapy, offering precise control and feedback mechanisms for targeted treatments. This review explores the intersection of nanotechnology and thermal...The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
cl Surface-Enhanced Raman Scattering for HSP 70A mRNA Detection in the Live Cells Using Silica Nanoparticles and DNA-Modified Gold Nanoparticles By pubs.rsc.org Published On :: J. Mater. Chem. B, 2024, Accepted ManuscriptDOI: 10.1039/D4TB01514B, PaperJu Eun Cho, Dong-Kwon LimReal-time monitoring of mRNA in living cells is crucial for understanding dynamic biological processes. Traditional methods such as northern blotting, PCR, and sequencing require cell lysis and do not allow...The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
cl Eco-Friendly Self-Clean Coatings: Fundamentals, Fabrication, Applications, and Sustainability By pubs.rsc.org Published On :: J. Mater. Chem. B, 2024, Accepted ManuscriptDOI: 10.1039/D4TB01392A, Review ArticleTanaji K. Chavan, Sushanta Kumar K. SethiEco-friendly self-clean coatings have garnered significant attention due to their potential to address environmental concerns while offering remarkable properties. This review explores the dynamic field of such coatings, focusing on...The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
cl Advancing cancer therapy with a heptamethine carbocyanine dye-conjugated radionuclide drug By pubs.rsc.org Published On :: J. Mater. Chem. B, 2024, Advance ArticleDOI: 10.1039/D4TB01798F, PaperMingxing Huang, Weichen Wang, Yingwei Wang, Rang Wang, Lili Pan, Xin Li, Bo Li, Jingsong Zhang, Ruoxiang Wang, Yi Zhang, Rong TianMalignant tumors pose substantial treatment challenges due to their heterogeneity, metastatic potential, and therapeutic resistance, underscoring the urgent need for more effective treatment options.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
cl 'I won't be shedding my clothes in Bigg Boss 10' By www.rediff.com Published On :: Mon, 28 Nov 2016 15:30:42 +0530 'Don't worry I will fulfill your dreams, Jason Shah promises, just before he enters Bigg Boss 10. Full Article
cl 'We don't wait for Santa Claus. We become somebody else's Santa' By www.rediff.com Published On :: Sat, 24 Dec 2016 10:00:54 +0530 'When you go under a flyover in Mumbai at night, you will see many underprivileged people sleeping there. You get the best smiles when you distribute gifts, food packets or blankets.' Actor Karan Wahi's noble cause. Full Article Karan Wahi Santa Claus Diwali Mumbai Comedy Nights Bachao Kishwer Merchant Rithvik Dhanjani Suyyash Rai Spread
cl What were Krystle, Ekta doing at a club? By www.rediff.com Published On :: Fri, 05 Apr 2019 16:01:47 +0530 Television star Karan Patel launched a nightclub in Mumbai on Thursday, April 4, an event attended by several celebs. Full Article Ekta Kapoor Krystle Aalia Furniturewala Aditi Mittal Arslan Goni Anita Hassanandani Eijaz Khan Neena Kulkarni Karan Patel Iqbal Khan Anurag Sharma Sudhanshu Pandey Pradeep Bandekar Mushtaq Sheikh Mumbai
cl The augmented classroom By www.thehindu.com Published On :: Sun, 16 Oct 2016 17:00:55 +0530 Why not allow connectivity to enrich our knowledge even as we attend classroom lectures? Full Article Education Plus
cl Floating on cloud nine By www.thehindu.com Published On :: Sun, 13 Nov 2016 17:00:50 +0530 Full Article Education Plus
cl Bharat Biotech releases Covaxin Phase-3 trial data, claims 77.8% efficacy By www.thehindu.com Published On :: Sat, 03 Jul 2021 10:13:19 +0530 Vaccine also offers 65% protection against Delta variant, according to firm Full Article India
cl Anthropocene: A response to the contagion and climate change By www.thehindubusinessline.com Published On :: Sun, 04 Jul 2021 10:34:37 +0530 Five poems from Sudeep Sen’s new collection of poetry, prose and photography Full Article Read
cl Dilip Kumar’s take on Heathcliff By www.thehindubusinessline.com Published On :: Wed, 07 Jul 2021 13:08:18 +0530 ‘Arzoo’ consolidated the legendary actor’s image as the tormented lover Full Article Watch
cl A Miyazaki miracle in Rajasthan By www.thehindubusinessline.com Published On :: Wed, 07 Jul 2021 14:42:56 +0530 They are his most precious treasure at the moment. Award winning cultivator Shreekishan Suman on growing the world’s most expensive mango variety in the Indian desert state Full Article Know
cl Mumbai Mapped: Click to find geckos, sunbirds, and turtles By www.thehindubusinessline.com Published On :: Thu, 08 Jul 2021 13:43:37 +0530 A new interactive map of Maximum City plots the flora and fauna of the megapolis Full Article Explore
cl Sulli deals: Women caught in the tentacles of the dark Web By www.thehindubusinessline.com Published On :: Thu, 22 Jul 2021 12:56:16 +0530 Doxxing, or sharing a woman’s picture online without her consent, is a crime that has proliferated during the pandemic — chillingly, against one particular community Full Article Cover
cl How Novotel floated its cloud kitchens By www.thehindubusinessline.com Published On :: Wed, 11 Aug 2021 13:47:06 +0530 The Accor group hotel beat lockdown blues with some smart pivots Full Article Takeaway
cl Closing the loop on sustainability By www.thehindubusinessline.com Published On :: Thu, 02 Sep 2021 12:19:20 +0530 As new regulations make it imperative to walk the talk on energy efficiency and eco friendliness, a bunch of cool companies design change all the way from planning to production Full Article Cover
cl George Clooney's wife Amal expecting twins By www.rediff.com Published On :: Fri, 10 Feb 2017 13:57:31 +0530 It's raining babies in Hollywood! Full Article George Clooney Amal Clooney AFP CBS Cannes Film Festival Julie Chen Clemens Bilan Money Monster Golden Globes IMAGE Hollywood Statham Beyonc Ocean US
cl George Clooney, 56, becomes a dad at last By www.rediff.com Published On :: Wed, 07 Jun 2017 16:38:44 +0530 The twins are named Ella and Alexander Clooney. Full Article George Clooney Alexander Clooney Ella Amal CNN Rencontres de Cinema Reuters Gonzalo Italy Venice
cl Golden Globes 2019: Rami Malek, Glenn Close win By www.rediff.com Published On :: Mon, 07 Jan 2019 15:26:53 +0530 Who won at the Globes? We tell you! Full Article
cl Surface-enhanced Raman scattering enhancement using a hybrid gold nanoparticles@carbon nanodot substrate for herbicide detection By pubs.rsc.org Published On :: Analyst, 2024, 149,5277-5286DOI: 10.1039/D4AN00649F, Paper Open Access   This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Naghmeh Aboualigaledari, Anitha Jayapalan, Panesun Tukur, Mengxin Liu, Frank Tukur, Yanling Zhang, Gerald Ducatte, Madan Verma, Janet Tarus, Simona E. Hunyadi Murph, Jianjun WeiHybrid nanoparticles composed of gold nanoparticles and carbon nanodots provide great signal amplification in SERS detection of herbicide molecules.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
cl Revealing the heterogeneous catalytic kinetics of PtRu nanocatalysts at the single particle level By pubs.rsc.org Published On :: Analyst, 2024, 149,5184-5190DOI: 10.1039/D4AN01017E, Paper Open Access   This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Bowei Zhang, Dezheng Zhang, Jinpeng Bao, Ce Han, Ping Song, Weilin XuThe difference in kinetic information among PtRu bimetallic nanocatalysts, Pt and Ru monometallic nanocatalysts is revealed by the single-molecule fluorescence technique.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
cl A sulphide resistant Ag|AgCl reference electrode for long-term monitoring By pubs.rsc.org Published On :: Analyst, 2024, 149,5225-5231DOI: 10.1039/D4AN01076K, Paper Open Access   This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.David S. Macedo, Mikko Vepsäläinen, Theo Rodopoulos, Stephen Peacock, Conor F. HoganSolid state reference electrodes (SSREs) with suspended AgCl are resistant to sulphide poisoning. Sulphide species are precipitated as Ag2S, inhibiting their diffusion through the polymer composite.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
cl Advancing triage of acute lymphoblastic leukaemia subtypes diagnosis: label-free Raman spectroscopy for precise single-cell phenotyping and subtype classification By pubs.rsc.org Published On :: Analyst, 2024, 149,5443-5454DOI: 10.1039/D4AN00956H, PaperPatrycja Leszczenko, Anna M. Nowakowska, Patrycja Dawiec, Karolina Czuja, Justyna Jakubowska, Marta Zabczynska, Agata Pastorczak, Kinga Ostrowska, Szymon Tott, Wojciech Mlynarski, Malgorzata Baranska, Katarzyna MajznerAcute lymphoblastic leukaemia (ALL) is a complex disease in pediatric oncology, necessitating accurate diagnostic strategies for effective treatment planning.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
cl Screen printed 3D microfluidic paper-based and modifier-free electroanalytical device for clozapine sensing By pubs.rsc.org Published On :: Analyst, 2024, 149,5411-5422DOI: 10.1039/D4AN01136H, Paper Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Mohammad Hossein Ghanbari, Markus Biesalski, Oliver Friedrich, Bastian J. M. EtzoldScreen printing was employed for the first time to examine the effect of electrode size and arrangement on the performance of a microfluidic paper-based electroanalytical device for clozapine sensing.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
cl Probing the role of ligation and exonuclease digestion towards non-specific amplification in bioanalytical RCA assays By pubs.rsc.org Published On :: Analyst, 2024, 149,5491-5503DOI: 10.1039/D4AN00866A, PaperVandana Kuttappan Nair, Chandrika Sharma, Shrawan Kumar, Mrittika Sengupta, Souradyuti GhoshComprehensive quantitative analysis of various ligation and digestion conditions to identify and minimize non-specific amplification in RCA bioanalytical methods.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
cl Evaluation of extracellular vesicle aggregation by single vesicle analysis By pubs.rsc.org Published On :: Analyst, 2024, Advance ArticleDOI: 10.1039/D4AN01112K, PaperJohan Yi, Suyeon Kim, Chungmin Han, Jaesung ParkA TIRF microscopy-based method for single vesicle aggregation analysis enables precise assessment of EV aggregation under various conditions, enhancing EV characterization and functional analysis.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
cl Exploring gunshot residue detection in fingerprints by functionalized particle-coupled matrix-assisted laser desorption/ionization mass spectrometry By pubs.rsc.org Published On :: Analyst, 2024, Advance ArticleDOI: 10.1039/D4AN01260G, PaperSunil S. Adav, Yan Wen Crystal Tan, Choon Teck Low, Song Wei Loo, Ridhwan Yusoff, Archana Gautam, Yuk Lin Yong, Chiew Yung Yang, Chin Chin Lim, Kee Woei NgIn firearm forensic investigations, detecting gunshot residue (GSR) is crucial for linking firearms to suspects and determining firing distance for forensic reconstruction.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
cl 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, 26,27348-27362DOI: 10.1039/D4CP02431A, PaperMillena Logrado, Yara Hellen Firmo Gomes, Tomiki Inoue, Shingo Nakane, Yoshinari Kato, Hiroki Yamazaki, Akihiro Yamada, Hellmut EckertSuperposition 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
cl Oxidation of fine aluminum particles: thermally induced transformations in particle shells and kinetics of oxide nucleation By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, 26,27602-27616DOI: 10.1039/D4CP03355H, PaperAndrey V. KorshunovA submicron aluminum particle during oxidation is a shrinking spherical segment due to the growth of a single γ-Al2O3 nucleus.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
cl Comparing coupled cluster and composite quantum chemical methods for computing activation energies and reaction enthalpies of radical propagation reactions By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, 26,27536-27543DOI: 10.1039/D4CP03676J, PaperTimothy B. Huber, Ralph A. WheelerThe accuracy of DLPNO-CCSD(T)/CBS and composite methods G3(MP2)-RAD and CBS-RAD is assessed against CCSD(T)/aug-cc-pVTZ for activation energies and reaction enthalpies in hydrocarbon radical addition reactions relevant to free radical polymerization.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
cl An in-depth investigation of lead-free KGeCl3 perovskite solar cells employing optoelectronic, thermomechanical, and photovoltaic properties: DFT and SCAPS-1D frameworks By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, 26,27704-27734DOI: 10.1039/D4CP02974G, PaperMd. Tarekuzzaman, Mohammad Hasin Ishraq, Md. Shahazan Parves, M. A. Rayhan, Sohail Ahmad, Md. Rasheduzzaman, K A Al Mamun, M. Moazzam Hossen, Md. Zahid HasanCrystal structure of KGeCl3 and the design configuration of the KGeCl3-based PSC.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
cl Machine-learning-accelerated structure prediction of PtSnO nanoclusters under working conditions By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, 26,27624-27632DOI: 10.1039/D4CP03769C, PaperFanke Zeng, Wanglai CenCredible property calculations based on the structure prediction of multi-component catalyst clusters under working conditions via a machine-learning-accelerated genetic algorithm and ab initio thermodynamics approach.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
cl Hydrogen bond network structures of protonated 2,2,2-trifluoroethanol/ethanol mixed clusters probed by infrared spectroscopy combined with a deep-learning structure sampling approach: the origin of the linear type network preference in protonated fluoroal By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, 26,27751-27762DOI: 10.1039/D4CP03534H, PaperPo-Jen Hsu, Atsuya Mizuide, Jer-Lai Kuo, Asuka FujiiInfrared spectroscopy combined with a deep-learning structure sampling approach reveals the origin of the unusual structure preference in protonated fluorinated alcohol clusters.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
cl Theoretical insight into photodeactivation mechanisms of adenine–uracil and adenine–thymine nucleobase pairs By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, 26,27807-27816DOI: 10.1039/D4CP02817A, Paper Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Kinga Szkaradek, Robert W. GóraAb initio calculations elucidate plausible intramolecular photoinduced relaxation pathways involving ring puckering and an efficient intersystem crossing in A–U and A–T base pairs, potentially hindering electron-driven proton transfer detection.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
cl Insights of the peroxychloroformyl radical ClC(O)OO via microwave spectrum By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, 26,27669-27676DOI: 10.1039/D4CP03506B, PaperChing-Hua Chang, Wen Chao, Cheng-Han Tsai, Mitchio Okumura, Frank A. F. Winiberg, Yasuki EndoPure rotational spectra of trans-ClC(O)O2 (left) and cis-ClC(O)O2 (right), and the potential energy curve connecting the two conformers. The energy diagram and the observed transitions for the trans-ClC(O)O2 are also shown.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
cl Dynamics of ionic liquids by means of nuclear magnetic resonance relaxation – overview of theoretical approaches By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, 26,27248-27259DOI: 10.1039/D4CP03183K, Review ArticleDanuta Kruk, Elzbieta Masiewicz, Roksana Markiewicz, Rajendra Kumar SinghNuclear 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.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
cl Structural insights into carboxylic-acid based DES across H-bond donor ratios: impact of CL&Pol refinement By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, 26,27486-27497DOI: 10.1039/D4CP03233K, PaperJon Zubeltzu, Elixabete RezabalImproved force field parameters refine H-bond network and long-range structure in carboxylic-acid-based deep eutectic solvents.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article