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2721por Sharma, Mahendra K., Blomeyer, Sebastian, Neumann, Beate, Stammler, Hans‐Georg, van Gastel, Maurice, Hinz, Alexander, Ghadwal, Rajendra S.“…The sequential removal of one electron from the HOMO, that is mainly the As−As π‐bond, of 1 and 2 leads to successive elongation of the As=As bond and contraction of the C−As bonds from 1/2→3/4→5/6. …”
Publicado 2019
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2722por Mercader, Julio, Clarke, Siobhán, Bundala, Mariam, Favreau, Julien, Inwood, Jamie, Itambu, Makarius, Larter, Fergus, Lee, Patrick, Lewiski-McQuaid, Garnet, Mollel, Neduvoto, Mwambwiga, Aloyce, Patalano, Robert, Soto, María, Tucker, Laura, Walde, Dale“…This article studies soil and plant phytoliths from the Eastern Serengeti Plains, specifically the Acacia-Commiphora mosaics from Oldupai Gorge, Tanzania, as present-day analogue for the environment that was contemporaneous with the emergence of the genus Homo. We investigate whether phytolith assemblages from recent soil surfaces reflect plant community structure and composition with fidelity. …”
Publicado 2019
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2723por Gaspar, Hugo, Figueira, Flávio, Strutyński, Karol, Melle-Franco, Manuel, Ivanou, Dzmitry, Tomé, João P. C., Pereira, Carlos M., Pereira, Luiz, Mendes, Adélio, Viana, Júlio C., Bernardo, Gabriel“…The corresponding highest occupied molecular orbital (HOMO)/lowest unoccupied molecular orbital (LUMO) energy levels were determined by cyclic voltammetry, from the onset oxidation and reduction potentials, respectively. …”
Publicado 2019
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2724por Konstantinidou, Markella, Li, Jingyao, Zhang, Bidong, Wang, Zefeng, Shaabani, Shabnam, Brake, Frans Ter, Essa, Khaled, Dömling, Alexander“…Specific types such as homoPROTACs, PROTACs targeting Tau protein and the first PROTACs recently entering clinical trials are examined. …”
Publicado 2019
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2725por Wang, Kaizheng, Wang, Feipeng, Lou, Ziyi, Han, Qiuhuang, Zhao, Qi, Hu, Kelin, Huang, Zhengyong, Li, Jian“…The major contribution to the highest occupied molecular orbital (HOMO) comes from the carbon atoms adjacent to C=C. …”
Publicado 2020
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2726por Taia, Abdelmaoujoud, Essaber, Mohamed, Hökelek, Tuncer, Aatif, Abdeljalil, Mague, Joel T., Alsalme, Ali, Al-Zaqri, Nabil“…Optimized structures using density functional theory (DFT) at the B3LYP/6–311 G(d,p) level are compared with the experimentally determined molecular structures in the solid state. The HOMO–LUMO behaviour was elucidated to determine the energy gap.…”
Publicado 2020
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2727por Ambrosio, Gina, Drera, Giovanni, Di Santo, Giovanni, Petaccia, Luca, Daukiya, Lakshya, Brown, Anton, Hirsch, Brandon, De Feyter, Steven, Sangaletti, Luigi, Pagliara, Stefania“…The band energy alignment at the molecule-graphene interface has been traced revealing the energy position of the HOMO band with respect to the Fermi level.…”
Publicado 2020
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2728“…By analyzing the association between the polymorphisms and temperament scores of behavioral tests, significant effects of CRH polymorphism and interaction were not detected but cattle with wild homo-type of LEP tended to permit the contact of stranger when feeding (p < 0.1). …”
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2729“…The prevailing theory of autoimmune disease, that the body creates autoantibodies that attack “self,” was developed during an era when culture-based methods vastly underestimated the number of microbes capable of persisting in and on Homo sapiens. Thanks to the advent of culture-independent tools, the human body is now known to harbor billions of microbes whose collective genomes work in concert with the human genome. …”
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2730por Jin, Feng“…In this new pathway, a SecA(N) protein, which is mainly present in the IM as a homo‐oligomer, translocates nascent OMPs across the IM; at the same time, SecA(N) directly interacts with the β‐barrel assembly machinery (BAM) complex embedded within the OM. …”
Publicado 2020
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2731por Gandahi, Noor Samad, Ding, Botao, Shi, Yonghong, Bai, Xuebing, Gandahi, Jameel Ahmed, Vistro, Waseem Ali, Chen, Qiusheng, Yang, Ping“…Ultrastructurally, TCs exhibited small and large bodies with thick and thin portions, podoms, and podomers, and prolongations that form dichotomous branching with hetero-cellular and homo-cellular junctions. The podom (thick) portions showed caveolae, mitochondria, rough endoplasmic reticulum, and vesicles. …”
Publicado 2020
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2732por Kano, Haruka, Uehara, Keiji, Matsuo, Kyohei, Hayashi, Hironobu, Yamada, Hiroko, Aratani, Naoki“…The photophysical properties of TB4 are also unchanged by the substituents because the carbon atoms at 2,5,10,13-positions have less coefficients on its HOMO and LUMO, estimated by theoretical calculations. …”
Publicado 2020
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2733por Georgiou, Leoni, Dunmore, Christopher J., Bardo, Ameline, Buck, Laura T., Hublin, Jean-Jacques, Pahr, Dieter H., Stratford, Dominic, Synek, Alexander, Kivell, Tracy L., Skinner, Matthew M.“…The trabecular structure of a proximal femur (StW 522) attributed to Australopithecus africanus exhibits a modern human-like bipedal locomotor pattern, while that of a geologically younger specimen (StW 311) attributed to either Homo sp. or Paranthropus robustus exhibits a pattern more similar to nonhuman apes, potentially suggesting regular bouts of both climbing and terrestrial bipedalism. …”
Publicado 2020
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2734por Alnoman, Rua B., Ahmed, Hoda A., Hagar, Mohamed, Abu Al-Ola, Khulood A., Alrefay, Bedor Sh., Haddad, Bashayer A., Albalawi, Raghad F., Aljuhani, Razan H., Aloqebi, Lama D., Alsenani, Shoaa F.“…The energy changes between frontier molecular orbitals (HOMO and LUMO) and the molecular electrostatic potential (MEP) of the designed complexes were discussed and related to the experimental results.…”
Publicado 2020
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2735por Brunette, TJ, Bick, Matthew J., Hansen, Jesse M., Chow, Cameron M., Kollman, Justin M., Baker, David“…We describe a protein backbone design method for generating a wide range of rigid fusions between helix-containing proteins and use it to design 75,000 structurally unique junctions between monomeric and homo-oligomeric de novo designed and ankyrin repeat proteins (RPs). …”
Publicado 2020
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2736por Anitha, K., Sivakumar, S., Arulraj, R., Rajkumar, K., Kaur, Manpreet, Jasinski, Jerry P.“…Density functional theory geometry-optimized calculations were compared to the experimentally determined structure in the solid state and used to determine the HOMO–LUMO energy gap and compare it to the UV–vis experimental spectrum.…”
Publicado 2020
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2737por Warad, Ismail, Ali, Oraib, Al Ali, Anas, Jaradat, Nidal Amin, Hussein, Fatima, Abdallah, Lubna, Al-Zaqri, Nabil, Alsalme, Ali, Alharthi, Fahad A.“…DFT/B3LYP theoretical calculations for optimization, TD-DFT, frequency, Molecular Electrostatic Potential (MEP), and highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) / were performed for L2. …”
Publicado 2020
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2738por Bogdanowicz, Krzysztof Artur, Augustowski, Dariusz, Dziedzic, Justyna, Kwaśnicki, Paweł, Malej, Wacław, Iwan, Agnieszka“…The influence of the ratio and type of polymers used as an additive to PVDF-HPF on absorption wavelengths, energy gap, and Highest Occupied Molecular Orbital (HOMO) and Lowest Unoccupied Molecular Orbital (LUMO) levels were investigated. …”
Publicado 2020
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2739por Fan, Jie, Li, Gengying, Deng, Sijie, Deng, Chengwei, Wang, Zhongkun, Zhang, Zhijun“…To overcome these shortages, in this study, CNTs were firstly dispersed into a styrene-acrylic emulsion (SAE). Then the homo-dispersion CNT/SAE emulsion was incorporated into cement paste. …”
Publicado 2020
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2740“…Progress in the chemistry of D1- and D2-like receptor ligands (agonists, antagonists, and partial agonists) has provided more selective compounds possibly able to target the dopamine receptors homo and heterodimers and address different schizophrenia symptoms. …”
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