Identification of potent new brain cancer EGFR inhibitor from usimine A and usimine B: computer-aided drug design perspective by Roney, Miah, Issahaku, Abdul Rashid, Wilhelm, Anke, Mohd Fadhlizil Fasihi, Mohd Aluwi

“…This compound exhibited five hydrogen bonds with the residues of Leu792, Met793, Asn842, Thr854, and Val843 in the active site of EGFR protein. …”
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Engineering protein theranostics using bio-orthogonal asparaginyl peptide ligases by Wang, Zhen, Zhang, Dingpeng, Hemu, Xinya, Hu, Side, To, Janet, Zhang, Xiaohong, Lescar, Julien, Tam, James P., Liu, Chuan-Fa

“…Although both ligate at asparaginyl peptide bonds, these two enzymes are bio-orthogonal with distinguishable substrate specificities, which can be exploited to introduce distinct modifications onto a protein. …”
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Multi-branch sandwich piezoelectric energy harvester : mathematical modeling and validation by Li, Xiangyang, Yu, Kaiping, Upadrashta, Deepesh, Yang, Yaowen

“…The proposed harvester comprises of a main sandwich beam as substrate with a patch of piezoelectric layer bonded over it. Multiple inner single branches with tip masses are connected to the main substrate to generate multiple resonant peaks and tune the range of the interested frequency. …”
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Studies on the Chitin Binding Property of Novel Cysteine-Rich Peptides from Alternanthera sessilis by Kini, Shruthi G., Nguyen, Phuong Q. T., Weissbach, Sophie, Mallagaray, Alvaro, Shin, Joon, Yoon, Ho Sup, Tam, James P.

“…Nuclear magnetic resonance (NMR) study of altides showed its three disulfide bonds were arranged in a cystine knot motif. As a consequence of this disulfide arrangement, they are stable against thermal and enzymatic degradation. …”
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Applications of pentamethyl phenyl ketones in the synthesis of carbocycles and heterocycles by Lunt-Laurin, CE

“…</p></strong> <p>Synthesis of C–C and C–N bond formation via hydrogen borrowing is well established. …”

High sensitivity transparent glass ceramic systems development based on MgSO4:Dy2O3–B2O3 and MgSO4:Dy2O3–B2O3:ZnO:An investigation of FT-IR and thermal properties for thermolumines... by Naeem, Hayder Salah, Iskandar Shahrim, Mustafa, N. N., Yusof, Thabit, Hammam Abdurabu, Mhareb, M. H. A., Alajerami, Y. S. M., Raypah, Muna E., Mohd Noor, ., Shareef, Ammar Nadal, Khazaalah, Thair Hussein, Ezra, Nabasu Seth, Munirah, Jamil, Efenji, G. I., Muhammad Fadhirul Izwan, Abdul Malik

“…FTIR analysis identified the expected composition and vibrational bonds. Upon irradiation, the samples MSDB0.2 and MSDBZ0.05 exhibited the highest sensitivity and dose response, with TLD readings of 1278.84 nC and 3262.63 nC, respectively, compared to the TLD-100 reading of 213.45 nC. …”
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Mechanical properties of additively manufactured kraft paper lattices and paper-epoxy interpenetrating phase composites for polymer foam replacement by Lim, Guo Yao, Kuek, Ryan Jian Xing, Teo, Javen, Seetoh, Ian Peiyuan, Lai, Chang Quan

“…Other than acting as supports to reduce bending of the diagonal struts, epoxy was found to infiltrate into the space between kraft paper fibers, forming a fiber-reinforced composite that conferred an excellent bond to the paper lattice and epoxy. The paper-based structures were also found to collectively exhibit an energy absorption efficiency of 31 % (i.e. cushion factor ∼3), comparable to elastomeric polymer lattices. …”
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Autoencoder-Based Anomaly Detection System for Online Data Quality Monitoring of the CMS Electromagnetic Calorimeter by Abadjiev, D., Adams, T., Adzic, P., Ahmad, M., Amendola, C., Andrews, M. B., Arcidiacono, R., Argiro, S., Askew, A., Auffray, E., Azzolini, V., Bailleux, D., Band, R., Barney, D., Barria, P., Bartosik, N., Basile, C., Bastos, D., Bell, K. W., Besancon, M., Bianco, R., Biino, C., Blinov, V., Borca, C., Bornheim, A., Brown, R. M., Campana, M., Castells, S., Cavallari, F., Cetorelli, F., Chatterjee, R. M., Chatterjee, S., Chaudhary, G., Chen, J. A., Chernyavskaya, N., Chung, H., Cipriani, M., Cokic, L., Cooke, C., Cossio, F., Couderc, F., Cristoforetti, D., Cucciati, G., Cunqueiro Mendez, L., Da Silva Di Calafiori, D., Dafinei, I., Cockerill, D. J. A., Dejardin, M., Re, D. Del, Ricca, G. Della, Depasse, P., Dervan, J., Marco, E. Di, Diemoz, M., Dimova, T., Dissertori, G., Dittmar, M., Dolgopolov, A., Donegà, M., Dordevic, M., Mamouni, H. El, Errico, F., Espinosa, F., Faure, J. L., Fay, J., Menendez, J. Fernandez, Ferri, F., Finco, L., Fiori, F., Frahm, E., Funk, W., Gadek, T., Gajownik, J., Galli, M., Ganjour, S., Gascon, S., Ghezzi, A., Ghose, P., Gninenko, S., Goadhouse, S., Godinovic, N., Golubev, N., Govoni, P., Gras, P., Hakala, J., de Monchenault, G. Hamel, Harilal, A., Härringer, N., Hashmi, R., Heath, H. F., Hirosky, R., Ho, K. W., Hou, X., Ingram, Q., Jain, Sh., Javaid, T., Jessop, C., Jimènez, R., Joshi, B. M., Jourd‘hui, E., Kaadze, K., Kao, Y.-W., Kardapoltsev, L., Khurana, R., King, J., Kirilovas, A., Konstantinov, D., Kovac, M., Krishna, A., Kuo, C. M., Lambrecht, L., Lavizzari, G., Lecoq, P., Ledovskoy, A., Legger, F., Lelas, D., Li, Y. y., Liang, Z., Lin, W., Longo, E., Loukas, N., Lu, R. -S., Lustermann, W., Lutton, L., Lyon, A. -M., Maeshima, K., Malcles, J., Mandrik, P., Manzoni, R. A., Marchese, L., Marinelli, N., Marini, A. C., Martin, L., Marzocchi, B., Mascellani, A., Massironi, A., Matveev, V., Mazza, G., Meridiani, P., Mijic, M., Mijuskovic, J., Milenovic, P., Milosevic, J., Monteno, M., Monti, F., Moortgat, F., Mousa, J., Mudholkar, T., Nessi-Tedaldi, F., Nicolaou, C., Nigamova, A., Obertino, M. M., Organtini, G., Orimoto, T., Orlandi, F., Ovtin, I., Paganis, E., Papagiannis, D., Pandolfi, F., Paramatti, R., Park, K., Pastrone, N., Paulini, M., Pauss, F., Petkovic, , A., Petraityte, E., Pettinacci, V., Petyt, D., Pigazzini, S., Pinolini, B. S., Prova, P. R., Quaranta, C., Ragazzi, S., Rahatlou, S., Rasteiro Da Silva, J. C., Razis, P. A., Teles, P. Rebello, Reis, T., Riti, F., Rogan, C., Romanteau, T., Rosowsky, A., Rovelli, C., Rovere, M., Rusack, R., Salvi, G., Sancar, O., Sanchez, A., Sandever, C., Santanastasio, F., Saradhy, R., Sarkar, U., Schneider, M., Schroeder, N., Sculac, A., Sculac, T., Shahzad, M. A., Shepherd-Themistocleous, C. H., Simkina, P., Singla, A., Singovsky, A., Skovpen, Y., Smith, V. J., Soffi, L., Stachon, K., Steen, A., Steggemann, J., Succar, M., Tao, J., Tishelman-Charny, A., Tiwari, P. C., Tornago, M., Tramontano, R., Tsai, L. -S., Usai, E., Valsecchi, D., Vagnerini, A., Varela, J., Venditti, R., Verma, P., Vlassov, E., Wachirapusitanand, V., Wamorkar, T., Wang, C., Wang, J., Wadud, M. A., Yu, S. S., Zabi, A., Zghiche, A., Zhang, L., Zhu, R. Y., Zygal, L.

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Controlled self-assembly of Ni foam supported poly(ethyleneimine)/reduced graphene oxide three-dimensional composite electrodes with remarkable synergistic effects for efficient ox... by Zhao, Ming, Yuan, Weiyong, Li, Chang Ming

“…The high catalytic performance could be attributed to in situ formed Ni(OH)2 with RGO-promoted activity, high-density C[double bond, length as m-dash]O rich edge-exposed RGO nanosheets, and the covalently crosslinked multilayer structure of chemically stable RGO nanosheets. …”
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PESI: paratope-epitope set interaction for SARS-CoV-2 neutralization prediction by Wan, Zhang, Lin, Zhuoyi, Rashid, Shamima, Ng, Shaun Yue Hao, Yin, Rui, Senthilnath, J., Kwoh, Chee Keong

“…Despite LLM's success, incorporating full-length Fv sequences suffers from: 1) inaccurate sequence-level labels in existing datasets, 2) inefficient modeling due to noisy non-contributing motifs, and 3) ignorance of non-bonded interactions that play a key role in facilitating epitope-paratope pairing. …”
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Revealing Structural and Spin-state Dependent Reactivity of Single Atom Catalysts (SACs) with Systematically Improvable Computational Tools by Jia, Haojun (贾皓钧)

“…In this thesis, we use range-separated hybrid density functional theory (DFT) to compare the energetics and structure of the direct metal-coordinating environment in the presence of 2p (i.e., N or O) and 3p (i.e., P or S) dopants and with increasing finite graphene model flake size to mimic differences in local rigidity. While metal–ligand bond lengths in SACs are significantly shorter than those in transition metal complexes, they remain longer than SAC mimic macrocyclic complexes. …”
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Structural analysis of the novel influenza A (H7N9) viral Neuraminidase interactions with current approved neuraminidase inhibitors Oseltamivir, Zanamivir, and Peramivir in the pre... by Tran-To Su, Chinh, Ouyang, Xuchang, Zheng, Jie, Kwoh, Chee Keong

“…Conformational changes induced by the mutation R289K causes loss of number of hydrogen bonds between the inhibitors and the H7N9 viral neuraminidase in 2 out of 3 complexes. …”
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New multi-target based therapeutics against an opportunistic superbug by Premkumar, Jayaraman.

“…Docking and dynamics simulation studies reveal that the designed hybrid compounds have favourable binding affinity and stability in their respective binding-site cavities by forming strong hydrogen bonds and hydrophobic interactions with key active site residues. …”
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Structural and functional studies of C-nucleoside formation enzymes by Li, W

“…The substitution of C-C glycosidic bonds holds the promise of preserving the drug properties of the parent compound while rendering the compound essentially undegradable.…”

Genetic analysis of over 1 million people identifies 535 new loci associated with blood pressure traits by Evangelou, Evangelos, Warren, Helen R., Mosen-Ansorena, David, Mifsud, Borbala, Pazoki, Raha, Gao, He, Ntritsos, Georgios, Dimou, Niki, Cabrera, Claudia P., Ibrahim Karaman, Ng, Fu Liang, Evangelou, Marina, Witkowska, Katarzyna, Tzanis, Evan, Hellwege, Jacklyn N., Giri, Ayush, Edwards, Digna R. Velez, Sun, Yan V., Cho, Kelly, Gaziano, J. Michael, Wilson, Peter W. F., Tsao, Philip S., Kovesdy, Csaba P., Esko, Tonu, Mägi, Reedik, Milani, Lili, Almgren, Peter, Boutin, Thibaud, Debette, Stéphanie, Ding, Jun, Giulianini, Franco, Holliday, Elizabeth G., Jackson, Anne U., Li-Gao, Ruifang, Lin, Wei-Yu, Luan, Jian'an, Mangino, Massimo, Oldmeadow, Christopher, Prins, Bram Peter, Qian, Yong, Sargurupremraj, Muralidharan, Shah, Nabi, Surendran, Praveen, Thériault, Sébastien, Verweij, Niek, Willems, Sara M., Zhao, Jing-Hua, Amouyel, Philippe, Connell, John, de Mutsert, Renée, Doney, Alex S. F., Farrall, Martin, Menni, Cristina, Morris, Andrew D., Raymond Noordam, Paré, Guillaume, Poulter, Neil R., Shields, Denis C., Stanton, Alice, Thom, Simon, Abecasis, Gonçalo, Najaf Amin, Arking, Dan E., Ayers, Kristin L., Barbieri, Caterina M., Batini, Chiara, Bis, Joshua C. M., Blake, Tineka, Bochud, Murielle, Boehnke, Michael, Boerwinkle, Eric, Boomsma, Dorret I., Bottinger, Erwin P., Braund, Peter S., Brumat, Marco, Campbell, Archie, Campbell, Harry, Chakravarti, Aravinda, Chambers, John Campbell, Chauhan, Ganesh, Ciullo, Marina, Cocca, Massimiliano, Collins, Francis, Cordell, Heather J., Davies, Gail, de Borst, Martin H., de Geus, Eco J., Deary, Ian J., Deelen, Joris, Del Greco M., Fabiola, Demirkale, Cumhur Yusuf, Dörr, Marcus, Ehret, Georg B., Elosua, Roberto, Enroth, Stefan, Erzurumluoglu, A. Mesut, Ferreira, Teresa, Frånberg, Mattias, Franco, Oscar H., Gandin, Ilaria, Gasparini, Paolo, Giedraitis, Vilmantas, Gieger, Christian, Girotto, Giorgia, Goel, Anuj, Gow, Alan J., Gudnason, Vilmundur, Guo, Xiuqing, Gyllensten, Ulf, Hamsten, Anders, Harris, Tamara B., Harris, Sarah E., Hartman, Catharina A., Havulinna, Aki S., Hicks, Andrew A., Hofer, Edith, Hofman, Albert, Hottenga, Jouke-Jan, Huffman, Jennifer E., Hwang, Shih-Jen, Ingelsson, Erik, James, Alan, Jansen, Rick, Jarvelin, Marjo-Riitta, Joehanes, Roby, Johansson, Åsa, Johnson, Andrew D., Joshi, Peter K., Jousilahti, Pekka, Jukema, J. Wouter, Jula, Antti, Kähönen, Mika, Kathiresan, Sekar, Keavney, Bernard D., Khaw, Kay-Tee, Knekt, Paul, Knight, Joanne, Kolcic, Ivana, Kooner, Jaspal S., Koskinen, Seppo, Kristiansson, Kati, Kutalik, Zoltan, Laan, Maris, Larson, Marty, Launer, Lenore J., Lehne, Benjamin, Lehtimäki, Terho, Liewald, David C. M., Lin, Li, Lind, Lars, Lindgren, Cecilia M., Liu, YongMei, Loos, Ruth J. F., Lopez, Lorna M., Lu, Yingchang, Lyytikäinen, Leo-Pekka, Mahajan, Anubha, Mamasoula, Chrysovalanto, Marrugat, Jaume, Marten, Jonathan, Milaneschi, Yuri, Morgan, Anna, Morris, Andrew P., Morrison, Alanna C., Munson, Peter J., Nalls, Mike A., Nandakumar, Priyanka, Nelson, Christopher P., Niiranen, Teemu, Nolte, Ilja M., Nutile, Teresa, Oldehinkel, Albertine J., Oostra, Ben A., O'Reilly, Paul F., Org, Elin, Padmanabhan, Sandosh, Palmas, Walter, Palotie, Aarno, Pattie, Alison, Penninx, Brenda W. J. H., Perola, Markus, Peters, Annette, Polasek, Ozren, Pramstaller, Peter P., Nguyen, Quang Tri, Raitakari, Olli T., Ren, Meixia, Rettig, Rainer, Rice, Kenneth, Ridker, Paul M., Ried, Janina S., Riese, Harriëtte, Ripatti, Samuli, Robino, Antonietta, Rose, Lynda M., Rotter, Jerome I., Rudan, Igor, Ruggiero, Daniela, Saba, Yasaman, Sala, Cinzia F., Salomaa, Veikko, Samani, Nilesh J., Sarin, Antti-Pekka, Schmidt, Reinhold, Schmidt, Helena, Shrine, Nick, Siscovick, David, Smith, Albert V., Snieder, Harold, Sõber, Siim, Sorice, Rossella, Starr, John M., Stott, David J., Strachan, David P., Strawbridge, Rona J., Sundström, Johan, Swertz, Morris A., Taylor, Kent D., Teumer, Alexander, Tobin, Martin D., Tomaszewski, Maciej, Toniolo, Daniela, Traglia, Michela, Trompet, Stella, Tuomilehto, Jaakko, Tzourio, Christophe, Uitterlinden, André G., Vaez, Ahmad, van der Most, Peter J., van Duijn, Cornelia M., Vergnaud, Anne-Claire, Verwoert, Germaine C., Vitart, Veronique, Völker, Uwe, Vollenweider, Peter, Vuckovic, Dragana, Watkins, Hugh, Wild, Sarah H., Willemsen, Gonneke, Wilson, James F., Wright, Alan F., Yao, Jie, Zemunik, Tatijana, Zhang, Weihua, Attia, John R., Butterworth, Adam S., Chasman, Daniel I., Conen, David, Cucca, Francesco, Danesh, John, Hayward, Caroline, Howson, Joanna M. M., Laakso, Markku, Lakatta, Edward G., Langenberg, Claudia, Melander, Olle, Mook-Kanamori, Dennis O., Palmer, Colin N. A., Risch, Lorenz, Scott, Robert A., Scott, Rodney J., Sever, Peter, Spector, Tim D., van der Harst, Pim, Wareham, Nicholas J., Zeggini, Eleftheria, Levy, Daniel, Munroe, Patricia B., Newton-Cheh, Christopher, Brown, Morris J., Metspalu, Andres, Hung, Adriana M., O'Donnell, Christopher J., Edwards, Todd L., Psaty, Bruce M., Tzoulaki, Ioanna, Barnes, Michael R., Wain, Louise V., Elliott, Paul, Caulfield, Mark J.

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Why do Chinese firms go public abroad and how do they perform? by Yuan, Mengying

“…The main finding is that overseas-listed companies do not perform better than A-share listed firms, but they are more likely to conduct M&A activities, financial investments, and bond issuance in currencies other than RMB. Finally, we discuss the delisting pressure on Chinese stocks from the U.S. exchanges from both the Chinese and U.S. authorities. …”
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Progressive collapse behaviour of precast concrete structures with advanced joints by Nguyen, Van Hung

“…Building upon this insight, a macro bond-slip model was proposed for headed bars, incorporated into CBMs, and verified against the test results from Series I with reasonable accuracy. …”
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Injectable and biomimetic poly (ethylene glycol) hydrogel systems for in situ therapeutic cell delivery by Cao, Ye

“…FRP (NHDFs) were encapsulated into the gelatin-PEG hydrogel by crosslinking the remaining double bonds of precursor under UV light in situ with high cell viability. …”
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Pulsed fiber laser at 1 μm wavelength region by Liu, Meng

“…This in turn emphasizes the strong bond between the application and the laser design.…”
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A type of novel energy harvesting device by Deng, J

“…</p> <p>This has led to the development of a new mechanical system which consists of a central shim with four identical beams bonded by two blocks and magnetic buttons. By numerical simulation and experiments, we are able to show that the new design can be a system with either hardening mechanism or snap-through mechanism with a suitable selection of the column height. …”