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Journal articles on the topic 'Molecular recognitions'

Author: Grafiati

Published: 10 March 2023

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1

Ye, Yunpeng, Sharon Bloch, and Samuel Achilefu. "Polyvalent Carbocyanine Molecular Beacons for Molecular Recognitions." Journal of the American Chemical Society 126, no. 25 (June 2004): 7740–41. http://dx.doi.org/10.1021/ja049441z.

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2

OKAHATA, YOSHIO. "Molecular Recognitions on a Lipid Membrane." Sen'i Gakkaishi 46, no. 2 (1990): P64—P69. http://dx.doi.org/10.2115/fiber.46.p64.

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3

Haino, Takeharu. "Designer supramolecular polymers with specific molecular recognitions." Polymer Journal 51, no. 3 (September 21, 2018): 303–18. http://dx.doi.org/10.1038/s41428-018-0126-7.

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4

Tanoue, Takuji, and Eisuke Nishida. "Molecular recognitions in the MAP kinase cascades." Cellular Signalling 15, no. 5 (May 2003): 455–62. http://dx.doi.org/10.1016/s0898-6568(02)00112-2.

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5

Ogata, Naoya. "Supramolecular membranes for optical resolutions and molecular recognitions." Macromolecular Symposia 77, no. 1 (January 1994): 167–75. http://dx.doi.org/10.1002/masy.19940770120.

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6

Zhang, Mingzhen, Jie Zheng, Ruth Nussinov, and Buyong Ma. "Molecular Recognition between Aβ-Specific Single-Domain Antibody and Aβ Misfolded Aggregates." Antibodies 7, no. 3 (July 13, 2018): 25. http://dx.doi.org/10.3390/antib7030025.

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Aβ is the toxic amyloid polypeptide responsible for Alzheimer’s disease (AD). Prevention and elimination of the Aβ misfolded aggregates are the promising therapeutic strategies for the AD treatments. Gammabody, the Aβ-Specific Single-domain (VH) antibody, recognizes Aβ aggregates with high affinity and specificity and reduces their toxicities. Employing the molecular dynamics simulations, we studied diverse gammabody-Aβ recognition complexes to get insights into their structural and dynamic properties and gammabody-Aβ recognitions. Among many heterogeneous binding modes, we focused on two gammabody-Aβ recognition scenarios: recognition through Aβ β-sheet backbone and on sidechain surface. We found that the gammabody primarily uses the complementarity-determining region 3 (CDR3) loop with the grafted Aβ sequence to interact with the Aβ fibril, while CDR1/CDR2 loops have very little contact. The gammabody-Aβ complexes with backbone binding mode are more stable, explaining the gammabody’s specificity towards the C-terminal Aβ sequence.

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7

Süleymanoglu, Erhan. "Thermodynamics of molecular recognitions between antineoplastic drug taxol and phosphatidylcholine." Brazilian Archives of Biology and Technology 53, no. 6 (December 2010): 1351–58. http://dx.doi.org/10.1590/s1516-89132010000600011.

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8

Sanjoh, Mai, Daisuke Iizuka, Akira Matsumoto, and Yuji Miyahara. "Boronate Based Metal-Free Platform for Diphosphate-Specific Molecular Recognitions." Organic Letters 17, no. 3 (January 16, 2015): 588–91. http://dx.doi.org/10.1021/ol5036003.

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9

Mohnani, Stefan, Anna Llanes-Pallas, and Davide Bonifazi. "Mastering nanostructured materials through H-bonding recognitions at interfaces." Pure and Applied Chemistry 82, no. 4 (March 20, 2010): 917–29. http://dx.doi.org/10.1351/pac-con-10-01-06.

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The controlled engineering of functional architectures composed of π-systems with unusual opto-electronic properties is currently being investigated intensively from both fundamental research and technological application viewpoints. In particular, the exploitation of the supramolecular approach for the facile construction of multidimensional architectures, featuring cavities capable of hosting functional molecules, could be used in several applications, such as nanomedicine, molecular-based memory storage devices, and sensors. This paper highlights our recent strategies to use hydrogen-bonding interactions to prepare nanostructured functional architectures via the self-assembly of organic molecular modules studied at different interfaces.

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10

Toda, Fumio. "Crystalline inclusion complexes as media of molecular recognitions and selective reactions." Pure and Applied Chemistry 73, no. 7 (July 1, 2001): 1137–45. http://dx.doi.org/10.1351/pac200173071137.

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Hexaol host compounds which include guest molecules maximum in 1:6 ratio were prepared. Aromatic hexaol host, hexahydroxytriphenylene, was found to form chiral inclusion crystal by complexation with achiral guest molecules. Some interesting and important optical resolutions of rac-guests by inclusion complexation with a chiral host were described. When chemical reaction and the inclusion complexation procedures in a water suspension medium are combined, new economical and ecological method of the preparation of optically active compound can be established. When photochemical reactions are carried out in an inclusion crystal with a chiral host, enantioselective reactions occur, and optically active product can be obtained. Several successful reactions are described.

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11

Su, Xiaoyu, Kui Luo, Qingxiang Xiang, Jingbo Lan, and Rugang Xie. "Enantioselective recognitions of chiral molecular tweezers containing imidazoliums for amino acids." Chirality 21, no. 5 (May 2009): 539–46. http://dx.doi.org/10.1002/chir.20635.

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12

Ta, Daniel D., and Sergei V. Dzyuba. "Squaraine-Based Optical Sensors: Designer Toolbox for Exploring Ionic and Molecular Recognitions." Chemosensors 9, no. 11 (October 25, 2021): 302. http://dx.doi.org/10.3390/chemosensors9110302.

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Small molecule-based chromogenic and fluorogenic probes play an indispensable role in many sensing applications. Ideal optical chemosensors should provide selectivity and sensitivity towards a variety of analytes. Synthetic accessibility and attractive photophysical properties have made squaraine dyes an enticing platform for the development of chemosensors. This review highlights the versatility of modular assemblies of squaraine-based chemosensors and chemodosimeters that take advantage of the availability of various structurally and functionally diverse recognition motifs, as well as utilizing additional recognition capabilities due to the unique structural features of the squaraine ring.

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13

Koley, Somnath, Manas Ranjan Panda, Kiran Bharadwaj, and Subhadip Ghosh. "Spectroscopic and Calorimetric Studies of Molecular Recognitions in a Dendrimer–Surfactant Complex." Langmuir 34, no. 3 (May 25, 2017): 817–25. http://dx.doi.org/10.1021/acs.langmuir.7b01081.

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14

ZHAO, XI, XU-RI HUANG, and CHIA-CHUNG SUN. "MOLECULAR DYNAMICS STUDY OF THE TRANSCRIPTIONAL RECOGNITION MECHANISM OF HEME ACTIVATE PROTEIN (HAP)." Journal of Theoretical and Computational Chemistry 08, no. 01 (February 2009): 1–18. http://dx.doi.org/10.1142/s0219633609004241.

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The heme activate protein (HAP) is a model system for understanding protein–DNA interactions and allosteric mechanisms in gene regulation. Despite the wealth of biochemical data provided by extensive mutations of HAP, the specific recognition mechanism of the target DNA by HAP has remained elusive. This paper gives the results of a study using molecular dynamics simulations performed for a single DNA fragment (USACYC7) and three protein–DNACYC7complex crystal structures: the HAP-wt and two HAP mutants — HAP-PC7: S63G; HAP-18: S63R. Comparative molecular dynamics simulations reveal that the distributions of protein–DNA interactions recognizing the key base steps (CGC) are consistent with their transcriptional activities. Relative to the similar conformations of three bound DNA, the different flexibilities in involving DNA recognition regions: N-term Arm and Zn 2 Cys 6 Binuclear Cluster in three HAPs may result in a variety of protein–DNA recognitions. Despite different intensities of motions, the essential dynamics (ED) analysis shows that the internal motions of three protein–DNA complexes are similar: three proteins all slide along DNA to find their target sites. Thus, under this condition, during the recognition process, the flexibility of the DNA recognizing regions (N-term Arm and Zn 2 Cys 6 Binuclear Cluster regions) plays a crucial role in determining the abilities of protein's recognizing DNA: the higher is its flexibility, the faster it slides along the DNA to find the targeted DNA.

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15

Ikemizu, S. "1SD03 Molecular recognitions of the cell surface receotors between APC and T-cell." Seibutsu Butsuri 44, supplement (2004): S7. http://dx.doi.org/10.2142/biophys.44.s7_3.

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16

Chen, Yung-fou, Ipsita A. Banerjee, Lingtao Yu, Ramin Djalali, and Hiroshi Matsui. "Attachment of Ferrocene Nanotubes on β-Cyclodextrin Self-Assembled Monolayers with Molecular Recognitions." Langmuir 20, no. 20 (September 2004): 8409–13. http://dx.doi.org/10.1021/la049560s.

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17

Toda, Fumio. "ChemInform Abstract: Crystalline Inclusion Complexes as Media of Molecular Recognitions and Selective Reactions." ChemInform 33, no. 29 (May 20, 2010): no. http://dx.doi.org/10.1002/chin.200229299.

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18

Hu, Shichen, Yingli Wang, Yukang Gong, Jianping Liu, Ying Li, and Lifeng Pan. "Mechanistic Insights into Recognitions of Ubiquitin and Myosin VI by Autophagy Receptor TAX1BP1." Journal of Molecular Biology 430, no. 18 (September 2018): 3283–96. http://dx.doi.org/10.1016/j.jmb.2018.06.030.

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19

Kanao, Eisuke, Katsuya Nakano, Ryoma Kamei, Takuro Hosomi, Yasushi Ishihama, Jun Adachi, Takuya Kubo, Koji Otsuka, and Takeshi Yanagida. "Moderate molecular recognitions on ZnO m-plane and their selective capture/release of bio-related phosphoric acids." Nanoscale Advances 4, no. 6 (2022): 1649–58. http://dx.doi.org/10.1039/d1na00865j.

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20

Kohda, Daisuke. "“Multiple partial recognitions in dynamic equilibrium” in the binding sites of proteins form the molecular basis of promiscuous recognition of structurally diverse ligands." Biophysical Reviews 10, no. 2 (December 14, 2017): 421–33. http://dx.doi.org/10.1007/s12551-017-0365-4.

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21

Yang, Jinghe, Fang Huang, Min Wang, Xia Wu, and Changxia Sun. "Study on the molecular recognitions of calix[n]arenes to 2,3-diaminonaphthalene by using fluorometric technique." Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 58, no. 8 (June 2002): 1775–78. http://dx.doi.org/10.1016/s1386-1425(01)00629-1.

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22

Nahalka, Jozef, Eva Hrabarova, and Klaudia Talafova. "Protein–RNA and protein–glycan recognitions in light of amino acid codes." Biochimica et Biophysica Acta (BBA) - General Subjects 1850, no. 9 (September 2015): 1942–52. http://dx.doi.org/10.1016/j.bbagen.2015.06.013.

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23

Koch, Nikolaj Georg, and Nediljko Budisa. "Pyrrolysyl-tRNA-Synthetase: Methanogenese und Gencode-Erweiterung." BIOspektrum 27, no. 6 (October 2021): 616–19. http://dx.doi.org/10.1007/s12268-021-1653-x.

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AbstractPyrrolysyl-tRNA synthetase (PylRS) is an enzyme of some methanogenic Archaea for the natural incorporation of pyrrolysine into proteins. The discovery of PylRS as a natural tool for genetic code expansion paved the way for site-specific incorporation of non-canonical amino acids (ncAAs) into proteins, with versatile side chains useful in biotechnology. Almost 20 years after the discovery, we describe the journey which led to three distinct classes of PylRSs with unique ncAA recognitions.

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24

Soori, Umair, Peter Yuen, Ji Wen Han, Izzati Ibrahim, Wentao Chen, Kan Hong, Christian Merfort, David James, and Mark Richardson. "Target recognitions in multiple-camera closed-circuit television using color constancy." Optical Engineering 52, no. 4 (April 8, 2013): 047202. http://dx.doi.org/10.1117/1.oe.52.4.047202.

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25

Drouillard, Sophie, Laurent Poulet, Claire Boisset, Christine Delbarre-Ladrat, and William Helbert. "NMR Analyses of the Enzymatic Degradation End-Products of Diabolican: The Secreted EPS of Vibrio diabolicus CNCM I-1629." Marine Drugs 20, no. 12 (November 23, 2022): 731. http://dx.doi.org/10.3390/md20120731.

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Diabolican, or HE800, is an exopolysaccharide secreted by the non-pathogenic Gram-negative marine bacterium Vibrio diabolicus (CNCM I-1629). This polysaccharide was enzymatically degraded by the Bacteroides cellulosilyticus WH2 hyaluronan lyase. The end products were purified by size-exclusion chromatography and their structures were analyzed in depth by nuclear magnetic resonance (NMR). The oligosaccharide structures confirmed the possible site of cleavage of the enzyme showing plasticity in the substrate recognitions. The production of glycosaminoglycan-mimetic oligosaccharides of defined molecular weight and structure opens new perspectives in the valorization of the marine polysaccharide diabolican.

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26

Tsai, Chia-Chen, I.-Ting Ho, Jean-Ho Chu, Li-Ching Shen, Shou-Ling Huang, and Wen-Sheng Chung. "Synthesis of 9,10-Bis-ketoenaminoanthryl and 9,10-Bis-isoxazolylanthryl Linked Biscalix[4]arenes: Atropisomers and Molecular Recognitions." Journal of Organic Chemistry 77, no. 5 (February 21, 2012): 2254–62. http://dx.doi.org/10.1021/jo2024784.

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27

Yang, Deng, Wenrui Duan, Guozhe Xuan, Lulu Hou, Zhen Zhang, Mingxue Song, and Jiahao Zhao. "Self-Powered Long-Life Microsystem for Vibration Sensing and Target Recognition." Sensors 22, no. 24 (December 7, 2022): 9594. http://dx.doi.org/10.3390/s22249594.

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Microsystems play an important role in the Internet of Things (IoT). In many unattended IoT applications, microsystems with small size, lightweight, and long life are urgently needed to achieve covert, large-scale, and long-term distribution for target detection and recognition. This paper presents for the first time a low-power, long-life microsystem that integrates self-power supply, event wake-up, continuous vibration sensing, and target recognition. The microsystem is mainly used for unattended long-term target perception and recognition. A composite energy source of solar energy and battery is designed to achieve self-powering. The microsystem’s sensing module, circuit module, signal processing module, and transceiver module are optimized to further realize the small size and low-power consumption. A low-computational recognition algorithm based on support vector machine learning is designed and ported into the microsystem. Taking the pedestrian, wheeled vehicle, and tracked vehicle as targets, the proposed microsystem of 15 cm3 and 35 g successfully realizes target recognitions both indoors and outdoors with an accuracy rate of over 84% and 65%, respectively. Self-powering of the microsystem is up to 22.7 mW under the midday sunlight, and 11 min self-powering can maintain 24 h operation of the microsystem in sleep mode.

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28

Tareq Hassan Khan, Mahmud, Carlo Mischiati, Arjumand Ather, Tatsuya Ohyama, Kenichi Dedachi, Monica Borgatti, Noriyuki Kurita, and Roberto Gambari. "Structure-Based Analysis of the Molecular Recognitions Between HIV-1 TAR-RNA and Transcription Factor Nuclear Factor-kappaB (NFkB)." Current Topics in Medicinal Chemistry 12, no. 8 (March 1, 2012): 814–27. http://dx.doi.org/10.2174/156802612800166800.

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29

Zhu, Yu, Yan-Mei Wang, Ji Xu, Pan Liu, H. A. B. M. D. Weththasinha, Yun-Long Wu, Xiao-Qing Lu, and Ji-Min Xie. "Syntheses, structures, molecular and cationic recognitions and catalytic properties of two lanthanide coordination polymers based on a flexible tricarboxylate." Journal of Solid State Chemistry 219 (November 2014): 259–64. http://dx.doi.org/10.1016/j.jssc.2014.07.029.

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30

Han, Bing, Jianjiang Lu, and Jay K. Kochi. "Anion Recognitions via Cocrystallizations with Organic π-Acids in the Efficient Self-Assembly of Nanoscopic One-Dimensional Molecular Chains (Wires)." Crystal Growth & Design 8, no. 4 (April 2008): 1327–34. http://dx.doi.org/10.1021/cg701138n.

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31

Luo, Liyan, Hongming Qin, Xiyu Song, Mei Wang, Hongbing Qiu, and Zou Zhou. "Wireless Sensor Networks for Noise Measurement and Acoustic Event Recognitions in Urban Environments." Sensors 20, no. 7 (April 8, 2020): 2093. http://dx.doi.org/10.3390/s20072093.

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Nowadays, urban noise emerges as a distinct threat to people’s physiological and psychological health. Previous works mainly focus on the measurement and mapping of the noise by using Wireless Acoustic Sensor Networks (WASNs) and further propose some methods that can effectively reduce the noise pollution in urban environments. In addition, the research on the combination of environmental noise measurement and acoustic events recognition are rapidly progressing. In a real-life application, there still exists the challenges on the hardware design with enough computational capacity, the reduction of data amount with a reasonable method, the acoustic recognition with CNNs, and the deployment for the long-term outdoor monitoring. In this paper, we develop a novel system that utilizes the WASNs to monitor the urban noise and recognize acoustic events with a high performance. Specifically, the proposed system mainly includes the following three stages: (1) We used multiple sensor nodes that are equipped with various hardware devices and performed with assorted signal processing methods to capture noise levels and audio data; (2) the Convolutional Neural Networks (CNNs) take such captured data as inputs and classify them into different labels such as car horn, shout, crash, explosion; (3) we design a monitoring platform to visualize noise maps, acoustic event information, and noise statistics. Most importantly, we consider how to design effective sensor nodes in terms of cost, data transmission, and outdoor deployment. Experimental results demonstrate that the proposed system can measure the urban noise and recognize acoustic events with a high performance in real-life scenarios.

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32

Tan, Cheng, and Shoji Takada. "Nucleosome allostery in pioneer transcription factor binding." Proceedings of the National Academy of Sciences 117, no. 34 (August 10, 2020): 20586–96. http://dx.doi.org/10.1073/pnas.2005500117.

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While recent experiments revealed that some pioneer transcription factors (TFs) can bind to their target DNA sequences inside a nucleosome, the binding dynamics of their target recognitions are poorly understood. Here we used the latest coarse-grained models and molecular dynamics simulations to study the nucleosome-binding procedure of the two pioneer TFs, Sox2 and Oct4. In the simulations for a strongly positioning nucleosome, Sox2 selected its target DNA sequence only when the target was exposed. Otherwise, Sox2 entropically bound to the dyad region nonspecifically. In contrast, Oct4 plastically bound on the nucleosome mainly in two ways. First, the two POU domains of Oct4 separately bound to the two parallel gyres of the nucleosomal DNA, supporting the previous experimental results of the partial motif recognition. Second, the POUSdomain of Oct4 favored binding on the acidic patch of histones. Then, simulating the TFs binding to a genomic nucleosome, theLIN28Bnucleosome, we found that the recognition of a pseudo motif by Sox2 induced the local DNA bending and shifted the population of the rotational position of the nucleosomal DNA. The redistributed DNA phase, in turn, changed the accessibility of a distant TF binding site, which consequently affected the binding probability of a second Sox2 or Oct4. These results revealed a nucleosomal DNA-mediated allosteric mechanism, through which one TF binding event can change the global conformation, and effectively regulate the binding of another TF at distant sites. Our simulations provide insights into the binding mechanism of single and multiple TFs on the nucleosome.

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33

Samanta, Dibyendu, Udupi Ramagopal, Vladimir Vigdorovich, Rotem Rubinstein, Steven Almo, and Stanley Nathenson. "Structure of Nectin-2 reveals determinants of homophilic and heterophilic interactions that control cell-cell adhesion and immune regulation (176.10)." Journal of Immunology 188, no. 1_Supplement (May 1, 2012): 176.10. http://dx.doi.org/10.4049/jimmunol.188.supp.176.10.

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Abstract Nectin comprises a family of four immunoglobulin-like molecules. Homophilic and heterophilic interactions among nectins are implicated in cell-cell adhesion, while their interactions with members of other protein families have diverse biological functions like host-pathogen interaction and immune modulation. In particular, nectin-2, found to be up-regulated on cancer cells is capable of interacting with two receptors, CD226 and TIGIT, expressed on T and NK cells. These interactions lead to the delivery of two opposing signals to both T and NK cells. This situation is reminiscent of the well-studied pathways in T cells, in which the coinhibitory receptor CTLA-4 binds the same ligand (B7) as the coactivating receptor CD28. In order to define the molecular and structural determinants underlying the homophilic and heterophilic recognitions of nectin-2, we examined the biochemical, biophysical and structural properties of human nectin-2. The structure of nectin-2 at 1.3 Å resolution reveals that the architecture of the nectin-2 homophilic dimer resembles other members of the immunoglobulin superfamily and defines the details responsible for recognition and selectivity. Of particular note, the close proximity of charged residues at the interface is a major determinant of binding affinity. Using these biochemical and structural data, we also characterized the heterophilic binding of nectin-2 with TIGIT, which is implicated in T cell and NK cell-mediated immune modulation.

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34

Miklusis, Donatas, Vytautas Markevicius, Dangirutis Navikas, Mindaugas Cepenas, Juozas Balamutas, Algimantas Valinevicius, Mindaugas Zilys, Inigo Cuinas, Dardan Klimenta, and Darius Andriukaitis. "Research of Distorted Vehicle Magnetic Signatures Recognitions, for Length Estimation in Real Traffic Conditions." Sensors 21, no. 23 (November 26, 2021): 7872. http://dx.doi.org/10.3390/s21237872.

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Reliable cost-effective traffic monitoring stations are a key component of intelligent transportation systems (ITS). While modern surveillance camera systems provide a high amount of data, due to high installation price or invasion of drivers’ personal privacy, they are not the right technology. Therefore, in this paper we introduce a traffic flow parameterization system, using a built-in pavement sensing hub of a pair of AMR (anisotropic magneto resistance) magnetic field and MEMS (micro-electromechanical system) accelerometer sensors. In comparison with inductive loops, AMR magnetic sensors are significantly cheaper, have lower installation price and cause less intrusion to the road. The developed system uses magnetic signature to estimate vehicle speed and length. While speed is obtained from the cross-correlation method, a novel vehicle length estimation algorithm based on characterization of the derivative of magnetic signature is presented. The influence of signature filtering, derivative step and threshold parameter on estimated length is investigated. Further, accelerometer sensors are employed to detect when the wheel of vehicle passes directly over the sensor, which cause distorted magnetic signatures. Results show that even distorted signatures can be used for speed estimation, but it must be treated with a more robust method. The database during the real-word traffic and hazard environmental condition was collected over a 0.5-year period and used for method validation.

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35

Hatano, Masatoshi, and Toshifumi Fujii. "3-D shape recognitions of target objects for stacked rubble withdrawal works performed by rescue robots." Artificial Life and Robotics 25, no. 1 (October 23, 2019): 94–99. http://dx.doi.org/10.1007/s10015-019-00566-6.

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36

Yang, Zhiwei, Xiaomin Wu, Gang Yang, Yuangang Zu, and Lijun Zhou. "Understanding the chiral recognitions between neuraminidases and inhibitors: Studies with DFT, docking, and MD methods." International Journal of Quantum Chemistry 112, no. 3 (March 8, 2011): 909–21. http://dx.doi.org/10.1002/qua.23046.

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37

Adhikari, Surya B., Anji Chen, and Guijun Wang. "Synthesis of Carbohydrate Based Macrolactones and Their Applications as Receptors for Ion Recognition and Catalysis." Molecules 26, no. 11 (June 3, 2021): 3394. http://dx.doi.org/10.3390/molecules26113394.

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Glycomacrolactones exhibit many interesting biological properties, and they are also important in molecular recognitions and for supramolecular chemistry. Therefore, it is important to be able to access glycomacrocycles with different sizes and functionality. A new series of carbohydrate-based macrocycles containing triazole and lactone moieties have been designed and synthesized. The synthesis features an intramolecular nucleophilic substitution reaction for the macrocyclization step. In this article, the effect of some common sulfonate leaving groups is evaluated for macrolactonization. Using tosylate gave good selectivity for monolactonization products with good yields. Fourteen different macrocycles have been synthesized and characterized, of which eleven macrocycles are from cyclization of the C1 to C6 positions of N-acetyl D-glucosamine derivatives and three others from C2 to C6 cyclization of functionalized D-glucosamine derivatives. These novel macrolactones have unique structures and demonstrate interesting anion binding properties, especially for chloride. The macrocycles containing two triazoles form complexes with copper sulfate, and they are effective ligands for copper sulfate mediated azide-alkyne cycloaddition reactions (CuAAC). In addition, several macrocycles show some selectivity for different alkynes.

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38

MITRASINOVIC, Petar M. "Predicted single point mutations in ganglioside-binding domain of SARS-CoV-2 S and recognition by 9-O-acetylated sialic acid and hydroxychloroquine." Revue Roumaine de Chimie 65, no. 12 (2021): 1099–109. http://dx.doi.org/10.33224/rrch.2020.65.12.05.

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The infectious disease CoViD-19 is caused by a new severe acute respiratory syndrome-coronavirus-2 (SARS-CoV-2). A possible infection mechanism includes dual host receptor recognitions by the SARS-CoV-2 transmembrane spike (S) glycoproteins. SARS-CoV-2 S contains two different domains, the receptor-binding domain (RBD) and the N-terminal domain (NTD), which interact with angiotensin-converting enzyme 2 (ACE2) and the ganglioside-rich domain of the plasma membrane at the surface of respiratory cell, respectively. NTD amino acids (111-162) form a functional ganglioside-binding domain (GBD) that is conserved in all clinical isolates. Herein, the single point mutations (SPMs) of GBD residues to which the virus is prone during genetic adaptation are predicted using an in silico protein engineering approach. Consequently, their effects on the attachment of SARS-CoV-2 S to the ganglioside-linked 9-O-acetylated sialic acid (9-O-Ac-Sia) are explored using molecular docking simulations. Val120Tyr and Asn122Trp are found to be the most likely SPMs in the GBD of SARS-CoV-2 S being involved in very specific recognition with 9-O-Ac-Sia through electrostatic interactions. Val120Tyr and Asn122Trp are also found to be the most likely SPMs in the GBD of SARS-CoV-2 S that is involved in conspicuously hydrophobic recognition with hidroxychloroquine (Hcq), thereby indicating the ability of Hcq to competitively inhibit GBD interactions with lipid rafts. However, the considerably non-specific binding of Hcq and the micromolar range of the dissociation constants of the SARS-CoV-2 S/Hcq complexes do not support the proposal of treating Hcq as a drug candidate. A usable guideline for the structure-based design of anti-CoViD-19 drugs is given.

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39

Tábi, Tamás, László Vécsei, Moussa B. Youdim, Peter Riederer, and Éva Szökő. "Selegiline: a molecule with innovative potential." Journal of Neural Transmission 127, no. 5 (September 27, 2019): 831–42. http://dx.doi.org/10.1007/s00702-019-02082-0.

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Abstract Monoamine oxidase B (MAO-B) inhibitors have an established role in the treatment of Parkinson’s disease as monotherapy or adjuvant to levodopa. Two major recognitions were required for their introduction into this therapeutic field. The first was the elucidation of the novel pharmacological properties of selegiline as a selective MAO-B inhibitor by Knoll and Magyar and the original idea of Riederer and Youdim, supported by Birkmayer, to explore its effect in parkinsonian patients with on–off phases. In the 1960s, MAO inhibitors were mainly studied as potential antidepressants, but Birkmayer found that combined use of levodopa and various MAO inhibitors improved akinesia in Parkinson’s disease. However, the serious side effects of the first non-selective MAO inhibitors prevented their further use. Later studies demonstrated that MAO-B, mainly located in glial cells, is important for dopamine metabolism in the brain. Recently, cell and molecular studies revealed interesting properties of selegiline opening new possibilities for neuroprotective mechanisms and a disease-modifying effect of MAO-B inhibitors.

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Moutik, Oumaima, Hiba Sekkat, Smail Tigani, Abdellah Chehri, Rachid Saadane, Taha Ait Tchakoucht, and Anand Paul. "Convolutional Neural Networks or Vision Transformers: Who Will Win the Race for Action Recognitions in Visual Data?" Sensors 23, no. 2 (January 9, 2023): 734. http://dx.doi.org/10.3390/s23020734.

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Understanding actions in videos remains a significant challenge in computer vision, which has been the subject of several pieces of research in the last decades. Convolutional neural networks (CNN) are a significant component of this topic and play a crucial role in the renown of Deep Learning. Inspired by the human vision system, CNN has been applied to visual data exploitation and has solved various challenges in various computer vision tasks and video/image analysis, including action recognition (AR). However, not long ago, along with the achievement of the transformer in natural language processing (NLP), it began to set new trends in vision tasks, which has created a discussion around whether the Vision Transformer models (ViT) will replace CNN in action recognition in video clips. This paper conducts this trending topic in detail, the study of CNN and Transformer for Action Recognition separately and a comparative study of the accuracy-complexity trade-off. Finally, based on the performance analysis’s outcome, the question of whether CNN or Vision Transformers will win the race will be discussed.

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Pham, Hai Chien, Quoc-Bao Ta, Jeong-Tae Kim, Duc-Duy Ho, Xuan-Linh Tran, and Thanh-Canh Huynh. "Bolt-Loosening Monitoring Framework Using an Image-Based Deep Learning and Graphical Model." Sensors 20, no. 12 (June 15, 2020): 3382. http://dx.doi.org/10.3390/s20123382.

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In this study, we investigate a novel idea of using synthetic images of bolts which are generated from a graphical model to train a deep learning model for loosened bolt detection. Firstly, a framework for bolt-loosening detection using image-based deep learning and computer graphics is proposed. Next, the feasibility of the proposed framework is demonstrated through the bolt-loosening monitoring of a lab-scaled bolted joint model. For practicality, the proposed idea is evaluated on the real-scale bolted connections of a historical truss bridge in Danang, Vietnam. The results show that the deep learning model trained by the synthesized images can achieve accurate bolt recognitions and looseness detections. The proposed methodology could help to reduce the time and cost associated with the collection of high-quality training data and further accelerate the applicability of vision-based deep learning models trained on synthetic data in practice.

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Bókkon, István, Felix Scholkmann, Vahid Salari, Noémi Császár, and Gábor Kapócs. "Endogenous spontaneous ultraweak photon emission in the formation of eye-specific retinogeniculate projections before birth." Reviews in the Neurosciences 27, no. 4 (June 1, 2016): 411–19. http://dx.doi.org/10.1515/revneuro-2015-0051.

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AbstractIn 1963, it was suggested [Sperry, R.W. (1963). Chemoaffinity in the orderly growth of nerve fiber patterns and connections. Proc. Natl. Acad. Sci. USA 50, 703–710.] that molecular cues can direct the development of orderly connections between the eye and the brain (the “chemoaffinity hypothesis”). In the same year, the amazing degree of functional accuracy of the visual pathway in the absence of any external light/photon perception prior to birth [Wiesel, T.N and Hubel, D.H. (1963). Single-cell responses in striate cortex of kittens deprived of vision in one eye. J. Neurophysiol. 26, 1003–1017.] was discovered. These recognitions revealed that the wiring of the visual system relies on innate cues. However, how the eye-specific retinogeniculate pathway can be developed before birth without any visual experience is still an unresolved issue. In the present paper, we suggest that Müller cells (functioning as optical fibers), Müller cell cone (i.e. the inner half of the foveola that is created of an inverted cone-shaped zone of Müller cells), discrete retinal noise of rods, and intrinsically photosensitive retinal ganglion cells might have key functions by means of retinal spontaneous ultraweak photon emission in the development of eye-specific retinogeniculate pathways prior to birth.

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Wang, Hengyang, Dongcheng Lu, Li Liu, Han Gao, Rumeng Wu, Yueling Zhou, Qing Ai, You Wang, and Guang Li. "Quantitatively Recognizing Stimuli Intensity of Primary Taste Based on Surface Electromyography." Sensors 21, no. 21 (October 20, 2021): 6965. http://dx.doi.org/10.3390/s21216965.

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A novel approach to quantitatively recognize the intensity of primary taste stimuli was explored based on surface electromyography (sEMG). We captured sEMG samples under stimuli of primary taste with different intensities and quantitatively recognized preprocessed samples with Support Vector Machine (SVM). The feasibility of quantitatively recognizing the intensity of Sour, Bitter, and Salty was verified. The sEMG signals were acquired under the stimuli of citric acid (aq), sucrose (aq), magnesium chloride (aq), sodium chloride (aq), and sodium glutamate (aq) with different concentrations, for five types of primary tastes: Sour, Sweet, Bitter, Salty, and Umami, whose order was fixed in this article. The acquired signals were processed with a method called Quadratic Variation Reduction to remove baseline wandering, and an adaptive notch to remove power frequency interference. After extracting 330 features for each sample, an SVM regressor with five-fold cross-validation was performed and the model reached R2 scores of 0.7277, 0.1963, 0.7450, 0.7642, and 0.5055 for five types of primary tastes, respectively, which manifested the feasibilities of the quantitative recognitions of Sour, Bitter, and Salty. To explore the facial responses to taste stimuli, we summarized and compared the muscle activities under stimuli of different taste types and taste intensities. To further simplify the model, we explored the impact of feature dimensionalities and optimized the feature combination for each taste in a channel-wise manner, and the feature dimensionality was reduced from 330 to 210, 120, 210, 260, 170 for five types of primary tastes, respectively. Lastly, we analyzed the model performance on multiple subjects and the relation between the model’s performance and the number of experiment subjects. This study can provide references for further research and applications on taste stimuli recognition with sEMG.

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Liu, Tao, and Xiao-Wen Zheng. "Study on the Molecular Recognition of Adrenaline by Supramolecular Complexation with Formamide." International Journal of Bioscience, Biochemistry and Bioinformatics 4, no. 4 (2014): 244–47. http://dx.doi.org/10.7763/ijbbb.2014.v4.348.

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Zhou, Qingqing, Zhigang Xu, and Zhimin Liu. "Molecularly Imprinting–Aptamer Techniques and Their Applications in Molecular Recognition." Biosensors 12, no. 8 (July 29, 2022): 576. http://dx.doi.org/10.3390/bios12080576.

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Molecular imprinting–aptamer techniques exhibit the advantages of molecular imprinting and aptamer technology. Hybrids of molecularly imprinted polymer–aptamer (MIP–aptamer) prepared by this technique have higher stability, binding affinity and superior selectivity than conventional molecularly imprinted polymers or aptamers. In recent years, molecular imprinting–aptamer technologies have attracted considerable interest for the selective recognition of target molecules in complex sample matrices and have been used in molecular recognition such as antibiotics, proteins, viruses and pesticides. This review introduced the development of molecular imprinting–aptamer-combining technologies and summarized the mechanism of MIP–aptamer formation. Meanwhile, we discussed the challenges in preparing MIP–aptamer. Finally, we summarized the application of MIP–aptamer to the molecular recognition in disease diagnosis, environmental analysis, food safety and other fields.

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Mooibroek, Tiddo Jonathan, Steve Scheiner, and Hennie Valkenier. "Molecular Recognition." ChemPhysChem 22, no. 5 (February 12, 2021): 433–34. http://dx.doi.org/10.1002/cphc.202100056.

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Breslow, R. "Molecular recognition." Proceedings of the National Academy of Sciences 90, no. 4 (February 15, 1993): 1139. http://dx.doi.org/10.1073/pnas.90.4.1139.

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Murray, Royce W. "Molecular recognition." Analytical Chemistry 71, no. 11 (June 1999): 359A. http://dx.doi.org/10.1021/ac990020n.

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Toda, Fumio. "Molecular recognition." Bioorganic Chemistry 19, no. 2 (June 1991): 157–68. http://dx.doi.org/10.1016/0045-2068(91)90032-k.

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Hubbard, S. J., S. F. Campbell, and J. M. Thornton. "Molecular recognition." Journal of Molecular Biology 220, no. 2 (July 1991): 507–30. http://dx.doi.org/10.1016/0022-2836(91)90027-4.

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