Selective one-pot multicomponent synthesis of N-substituted 2,3,5-functionalized 3-cyanopyrroles via the reaction between α-hydroxyketones, oxoacetonitriles, and primary amines by Xia, Mengxin, Moussa, Ziad, Judeh, Zaher M. A.

“…The reaction proceeded with very high atom efficiency as water is the only molecule lost during the reaction. The practicality of the reaction was demonstrated on a large gram scale. …”
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Biochemical characterisation of Larkinella arboricola (LA) Toll/Interleukin-1 receptor (TIR) domain-containing protein stimulator of interferon genes (STING) (TIR-STING) domain by Koh, Daryl Qian Hao

“…The objective of this paper is to investigate the STING activation mechanism, the identification of binding partners which may aid in the modulation of STING activity, and the characterisation of TIR domain-containing adaptor molecule 1/Stimulator of Interferon Genes (TIR-STING) mutations which may contribute to a better understanding of its structure and function, by elucidating the functional importance of certain residues and domains.…”
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An endergonic synthesis of single Sondheimer–Wong diyne by local probe chemistry by Kawai, Shigeki, Sang, Hongqian, Kantorovich, Lev, Takahashi, Keisuke, Nozaki, Kyoko, Ito, Shingo

“…DFT calculations revealed that the multiple-step reaction, being endergonic overall, is facilitated by temporal charging and discharging of the molecule placed in the nanometric junction between the Cu tip and the Cu substrate underneath the ultra-thin NaCl film. …”
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Multi-scale dynamic behaviors of oxygen entering carbon fiber/epoxy resin interfaces under thermal environment by Long, Jing, Xu, Feng, Sun, Baozhong, Xiao, Zhongmin, Gu, Bohong

“…The MD results show that interface systems with fewer oxygen molecules have serious interface cracks, weaker interaction energies and stronger diffusion capabilities than those with more oxygen molecules. …”
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Molecular geometric deep learning by Shen, Cong, Luo, Jiawei, Xia, Kelin

“…Existing molecular property prediction models rely on the de facto standard of covalent-bond-based molecular graphs for representing molecular topology at the atomic level and totally ignore the non-covalent interactions within the molecule. In this study, we propose a molecular geometric deep learning model to predict the properties of molecules that aims to comprehensively consider the information of covalent and non-covalent interactions of molecules. …”
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Machine learning-based predictions for hydrogel damage induced by cyclic swelling and deswelling (C) by Chen, Yimin

“…This project aims to demonstrate that the neural network model is a potential approach to predicting a crack propagation path in the hydrogel accurately while reducing the high computational cost when the randomized molecule density networks of simulated hydrogel samples become more complex.…”
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A crystalline trianionic triangular triboron species by Feng, Zhongtao, Kinjo, Rei

“…In contrast to the extant electron-deficient triborate rings, this molecule exhibits reducing ability and nucleophilicity; thus, it undergoes not only electron transfer but also cyclization and salt metathesis reactions, demonstrating its trait as elusive (R2B−) and ([R2B]22−) surrogates.…”
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β-Silyl alkynoates: versatile reagents for biocompatible and selective amide bond formation by Choudhuri, Khokan, Zhang, Zhenguo, Loh, Teck-Peng

“…It uses the β-silyl alkynoate molecule, where the alkynyl group activates the ester for efficient amide formation, while the bulky TIPS (triisopropylsilane) group prevents unwanted 1,4-addition reactions. …”
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Trifluoroacetic acid as a molecular probe for the dense phase in liquid-liquid phase-separating peptide systems by Lim, Jessica, Chin, Sze Yuet, Miserez, Ali, Xue, Kai, Pervushin, Konstantin

“…Quantum chemistry modeling of 19F chemical shift differences indicates that the structured complex is formed by the intercalation of one TFA molecule between two stacked Phe aromatic rings, possibly contributing to the stabilization of the condensed dense phase. …”
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Regulation of NOD2-dependent NF-kB signaling by tumour suppressor network. by Suhendra.

“…Overexpression assay also reveals that among the five genes, only MDM2 and NYREN18 act downstream of kinase RIP2, a key molecule required for NF-B activation. Western blot assay also validates the finding that silencing MDM2 and NYREN18 resulted in decreased NOD2-dependent NF-B activation in a more relevant human monocytic cell line. …”
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Ternary blend organic bulk heterojunction photovoltaics based on incorporation of low bandgap materials by Ling, Jin

“…This project investigated two ternary blend systems based on incorporation of low bandgap polymer poly[[9-(1-octylnonyl)-9H-carbazole-2,7-diyl]-2,5-thiophenediyl-2,1,3-benzothiadiazole-4,7-diyl-2,5-thiophenediyl] (PCDTBT), and small molecule BDT-DPP-BDT (DPP) respectively. It was found that, both ternary blend systems succeeded in increasing the non-annealed device power conversion efficiency (PCE) due to broadened absorption spectrum and larger open circuit voltage (VOC). …”
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Tandem organic solar cells with an inverted structure by Zhao, De Wei

“…In tandem devices, an efficient Al/MoO3 intermediate layer achieving optical and electrical sub-cell connection, has been developed and employed in various types of tandem devices, including polymer/small molecule and polymer/polymer double- and triple-tandem devices with improved or comparable efficiencies. …”
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Part I: Nanoparticle-based designation of multivalent carbohydrate-lectin interactions. Part II: Development of new promoters for stereoselective green glycosylation by Gorityala Bala Kishan

“…Each carbohydrate is specific to particular lectin and based on this phenomenon the incoming lectin molecule replaces fluorescein boronic acid ligand from fluorescein-bronic acid-carbohydrate encapsulated goldnanoparticle complex to release fluorescein boronic acid ligand which in turn increases the fluorescence intensity. …”
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Formulation and in-vitro release studies of Ranibizumab (Lucentis) loaded liposomes by Ang, Jin Yan

“…In this report, liposomes will be studied as a drug delivery carrier for loading and release of a protein molecule, Ranibizumab (Lucentis) which is approved for the treatment of age related macular degeneration in clinics. …”
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Raman spectroscopic study of the effects of dissolved NaCl and temperature on water structure by Wang, Yanan.

“…When in liquid state, there exist various local hydrogen-bond networks through which the water molecule interacts with its neighboring ones. …”
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Application of new synthetic methodologies to access 2,6-anti-tetrahydropyrans : towards the total synthesis of apicularen A by Chua, Sin Siu

“…In the second chapter, the target molecule, Apicularen A, was introduced, briefly describing its isolation, structural elucidation as well as its biological significance. …”
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Calcium ionophores induce transcriptional changes in erythrocytic stages of human malaria parasite plasmodium falciparum. by Sabna Cheemadan

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Electrochemical biosensors for real-time detection of angiogenesis by Ng, Shu Rui

“…Electrochemical biosensors have been made to detect the metabolic markers, pH, O2 and glucose, and nitric oxide (NO), the signalling molecule involved in angiogenesis. A novel three-dimensional (3-D) graphene/ionic liquid (IL) nanocomposite demonstrates highly sensitive detection of NO in phosphate buffered saline (PBS). …”
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Novel hole transporting materials for methylammonium lead halide (CH3NH3)PbI3 perovskite sensitized mesoscopic solar cells by Wee, Choon Lock

“…These could be interpreted as encouraging results and potentially improves the possibility of designing small molecule hole conductors for application inside of mesoscopic photovoltaic devices; acting as good alternatives towards even the best of performing HTMs currently existing in the commercial market.…”
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Effects of protein environment on the site energy of cofactors in the reaction center from photosynthetic purple bacterium thermochromatium tepidum by Huang, Junye

“…In addition to His residues, this research also suggests that another contribution to unidirectionality of charge separation in reaction center is the difference of protein environment around cofactor PM, possibly CRT molecule, which is responsible for about 0.035 eV of increment effect on site energy.…”
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