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Journal articles on the topic 'Gain molecules'

Author: Grafiati

Published: 25 May 2024

Last updated: 31 July 2025

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1

Amato, I. "Shiny Molecules Gain New Luster." Science 259, no. 5098 (1993): 1122. http://dx.doi.org/10.1126/science.259.5098.1122.

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Philippidis, Alex. "Large Molecules Continue to Gain Favor." Genetic Engineering & Biotechnology News 32, no. 10 (2012): 10–11. http://dx.doi.org/10.1089/gen.32.10.04.

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3

Scotognella, Francesco. "Multilayer plasmonic photonic structures embedding photochromic molecules or optical gain molecules." Physica E: Low-dimensional Systems and Nanostructures 120 (June 2020): 114081. http://dx.doi.org/10.1016/j.physe.2020.114081.

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Hengel, H., K. Burke, D. Kyburz, R. M. Zinkernagel, and U. H. Koszinowski. "Peptides control the gain and loss of allele specificity by mutated MHC class I molecules." Journal of Immunology 154, no. 9 (1995): 4557–64. http://dx.doi.org/10.4049/jimmunol.154.9.4557.

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Abstract To analyze the molecular basis of MHC class I allele-restricted peptide recognition, a set of eight Ld/Lq mutants was constructed and tested for peptide recognition by allele-restricted and peptide-specific CTL. The MHC molecules H-2Ld and H-2Lq differ at six amino acid positions (95, 97, 107, 116, 155, 157) located within the alpha 2 domain of the molecule. Both molecules present the lymphocytic choriomeningitis virus (LCMV) nucleoprotein-derived peptide RPQASGVYM and the murine cytomegalovirus (MCMV) pp89-derived peptide YPHFMPTNL to the respective virus-specific CD8+ CTL is a stric

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STARIKOV, E. B. "WHY DNA ELECTRICAL PROPERTIES CHANGE ON MOLECULAR OXYGEN DOPING: A QUANTUM-CHEMICAL STUDY." Modern Physics Letters B 18, no. 16 (2004): 785–90. http://dx.doi.org/10.1142/s0217984904007311.

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A detailed semiempirical quantum-chemical study is reported on homogeneous adenosine-thymidine and guanosine-cytidine base pair steps, both pure ones and their complexes with oxygen molecules. The results of this study help gain detailed insight into physico-chemical mechanisms of electrical conduction control in DNA molecules when doping them with molecular oxygen or related molecules.

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Bethanis, Kostas, Elias Christoforides, Athena Andreou та Elias Eliopoulos. "Molecular Symmetry of Permethylated β-Cyclodextrins upon Complexation". Symmetry 14, № 10 (2022): 2214. http://dx.doi.org/10.3390/sym14102214.

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The Cn molecular symmetry implicated by the schemes with which cyclodextrins (CDs), the well-known cyclic oligosaccharides, are introduced in the literature, is not valid. Numerous studies have shown that CDs are rather flexible with their macrocycle adopting various conformations that enable the inclusion complexation of guest molecules of various shapes. In this work, the loss and gain of the C7 symmetry of the heptakis (2, 3, 6-tri-O-methyl)-β-CD (TM-β-CD) is investigated by means of its conformation geometrical features in its hydrated form and upon complexation with molecules of different

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7

Tarasevich, E. A., and M. G. Gladush. "Probe Absorption Spectroscopy As a Tool to Study the Excited States in a Cooperative System of Two Organic Molecules." JETP Letters 120, no. 2 (2024): 91–102. http://dx.doi.org/10.1134/s0021364024602227.

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The applicability of the method for measuring the probe absorption and gain spectra in a system of quantum emitters excited by a resonant driving field for studying cooperative photoluminescence is considered. The gain and attenuation of a probe signal in the system of two quantum emitters with the dipole–dipole interaction have been calculated for the conditions of observing the cooperative photoluminescence of a pair of impurity molecules described in the literature and close to them. The resulting dependences demonstrate the structure of excited collective molecular states, which can be use

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Winata, Anggun. "Enhancing Students' Visual-Spatial Abilities through the Use of Bonat Berakal Media in Understanding Shapes of Molecules." Hydrogen: Jurnal Kependidikan Kimia 11, no. 1 (2023): 40. http://dx.doi.org/10.33394/hjkk.v11i1.6911.

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Students in 10th grade often get low learning outcomes on one of the chemical concepts, the shapes of molecules. Based on the test results, it can be seen that most students have difficulty on understanding and drawing the shapes of molecules. Many students have difficulty drawing shapes of molecules because shapes of molecules cannot be observed directly using the sense of sight, so students cannot project molecular images on their minds. The inability of students to understand molecular drawings in predicting the shape of molecules may be related to spatial visual abilities. The study aimed

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Belloche, Arnaud. "Exploring molecular complexity in the Galactic Center with ALMA." Proceedings of the International Astronomical Union 13, S332 (2017): 383–94. http://dx.doi.org/10.1017/s1743921317007815.

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AbstractThe search for complex organic molecules (COMs) in the ISM has revealed chemical species of ever greater complexity. This search relies heavily on the progress made in the laboratory to characterize the rotational spectra of these molecules. Observationally, the advent of ALMA with its high angular resolution and sensitivity has allowed to reduce the spectral confusion and detect low-abundance molecules that could not be probed before. We present results of the EMoCA survey conducted with ALMA toward the star-forming region Sgr B2(N). This spectral line survey aims at deciphering the m

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Nam, Ki Hyun. "Molecular Dynamics—From Small Molecules to Macromolecules." International Journal of Molecular Sciences 22, no. 7 (2021): 3761. http://dx.doi.org/10.3390/ijms22073761.

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All molecular systems, from small molecules to macromolecules, exhibit specific characteristics for a specific environment and time. In order to gain an accurate understanding of the functions of all types of molecules, studies of their structure and dynamics are essential. Through dynamic studies, using techniques such as spectroscopy, structure determination, and computer analysis, it is possible to collect functional information on molecules at specific times and in specific environments. Such information not only reveals the properties and mechanisms of action of molecules but also provide

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Balducci, G., G. Gigli, and G. Meloni. "Dissociation energies of the Ga2, In2, and GaIn molecules." Journal of Chemical Physics 109, no. 11 (1998): 4384–88. http://dx.doi.org/10.1063/1.477041.

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12

Al-Khayri, Jameel M., Sakshi Dubey, Gopishankar Thirumoorthy, Praveen Nagella, Adel Abdel-Sabour Rezk, and Wael Fathi Shehata. "In Silico Identification of 1-DTP Inhibitors of Corynebacterium diphtheriae Using Phytochemicals from Andrographis paniculata." Molecules 28, no. 2 (2023): 909. http://dx.doi.org/10.3390/molecules28020909.

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A number of phytochemicals have been identified as promising drug molecules against a variety of diseases using an in-silico approach. The current research uses this approach to identify the phyto-derived drugs from Andrographis paniculata (Burm. f.) Wall. ex Nees (AP) for the treatment of diphtheria. In the present study, 18 bioactive molecules from Andrographis paniculata (obtained from the PubChem database) were docked against the diphtheria toxin using the AutoDock vina tool. Visualization of the top four molecules with the best dockscore, namely bisandrographolide (−10.4), andrographiside

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13

Chakraborty, Indrajit, Tusar Kanti Dutta, Sudipta Ray, Deepak Kumar, and Pathik Sahoo. "Integrating and Exploiting Molecular, Supramolecular, and Time Crystal Synthons in Advanced Synthesis." Crystals 14, no. 10 (2024): 901. http://dx.doi.org/10.3390/cryst14100901.

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Molecular reactions occur through functional groups that drive covalent synthesis. These reactions often proceed via catalytic processes, leading to the formation of time crystals, which can be integrated into shared molecules or reactions—a concept referred to as the time crystal synthon. The concept of time crystal synthons, introduced by Sahoo, pushes these ideas into the temporal realm, where molecular assemblies exhibit periodic behavior over time. This temporal aspect allows the creation of materials with unique functionalities, such as enhanced stability and responsiveness to external s

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Winata, Anggun. "The Effect of Using Virtual Reality Media Obak Delik on Improving the Spatial Visual Abilities and Critical Thinking of SMAN 1 Tuban Students." Jurnal Inovasi Pendidikan dan Sains 5, no. 3 (2024): 126–32. https://doi.org/10.51673/jips.v5i3.2287.

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One of the chemistry concepts that students often get low learning outcomes in class XI is the concept of molecular shape. Many students have difficulty describing the shape of molecules and this causes students to misunderstand molecular shapes because the shape of molecules is abstract and cannot be observed directly using the sense of sight. The research aims to determine the effect of using OBAK DELIK virtual reality media on the visual spatial and critical thinking abilities of students at SMA N 1 Tuban. The research used a one group pretest posttest design to determine visual spatial abi

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JUN, WOONG GI, HYUK YOON, SEUNG HWAN LEE, JAE HONG KIM, and DONG HOON CHOI. "INORGANIC–ORGANIC HYBRID PHOTOREFRACTIVE MATERIALS BEARING THE BIFUNCTIONAL CHROMOPHORE." Journal of Nonlinear Optical Physics & Materials 14, no. 04 (2005): 497–504. http://dx.doi.org/10.1142/s0218863505002943.

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We prepared the photorefractive composite based on organic–inorganic hybrid materials containing charge-transporting molecules, second-order nonlinear optical chromophore, photosensitizer, and plasticizer either as a side chain unit or a guest molecule. New chromophore was synthesized to contain nonlinear optical chromophore and carbazole in one molecule. The functional chromophores were reacted to isocyanatotriethoxysilane to provide the functional precursor molecules. 2,4,7-Trinitrofluorenone (TNF) was added into the sol-gel materials to induce a charge-transfer complex. We also compared the

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Overbaugh, Julie, A. Dusty Miller, and Maribeth V. Eiden. "Receptors and Entry Cofactors for Retroviruses Include Single and Multiple Transmembrane-Spanning Proteins as well as Newly Described Glycophosphatidylinositol-Anchored and Secreted Proteins." Microbiology and Molecular Biology Reviews 65, no. 3 (2001): 371–89. http://dx.doi.org/10.1128/mmbr.65.3.371-389.2001.

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SUMMARY In the past few years, many retrovirus receptors, coreceptors, and cofactors have been identified. These molecules are important for some aspects of viral entry, although in some cases it remains to be determined whether they are required for binding or postbinding stages in entry, such as fusion. There are certain common features to the molecules that many retroviruses use to gain entry into the cell. For example, the receptors for most mammalian oncoretroviruses are multiple membrane-spanning transport proteins. However, avian retroviruses use single-pass membrane proteins, and a she

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Sun, Ruijin, Yongsheng Hu, Guangling Cheng, and Aixi Chen. "Gain-phase grating via double tunneling in quantum dot molecules." Laser Physics Letters 18, no. 9 (2021): 095202. http://dx.doi.org/10.1088/1612-202x/ac1743.

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18

Gourisankar, Sai, Roman Sarott, Basel Karim, et al. "Abstract PO-012: Gain-of-function small molecules to reprogram oncogenic transcription in lymphoma." Blood Cancer Discovery 5, no. 3_Supplement (2024): PO—012—PO—012. http://dx.doi.org/10.1158/2643-3249.lymphoma24-po-012.

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Abstract Conventional pharmacotherapy in oncology centers on target-centric silencing of aberrant protein function through small molecule inhibitors, degraders, or CRISPR/RNAi. In contrast, here we leverage induced proximity to develop pharmacology that activates dominant signaling pathways for a therapeutic effect. To develop this concept, we describe a new class of bivalent small molecules that reprogram cancer-driving gene expression to activate cell death signaling in diffuse large B cell lymphomas (DLBCL). These molecules, called Transcriptional Chemical Inducers of Proximity (TCIPs), ope

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Probstmeier, R., T. Fahrig, E. Spiess, and M. Schachner. "Interactions of the neural cell adhesion molecule and the myelin-associated glycoprotein with collagen type I: involvement in fibrillogenesis." Journal of Cell Biology 116, no. 4 (1992): 1063–70. http://dx.doi.org/10.1083/jcb.116.4.1063.

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To gain insights into the functional role of the molecular association between neural adhesion molecules and extracellular matrix constituents, soluble forms of the myelin-associated glycoprotein (MAG) and the neural cell adhesion molecule (N-CAM), representing most of the extracellular domains of the molecules, were investigated in their ability to modify fibrillogenesis of collagen type I. MAG and N-CAM retarded the rate of fibril formation, as measured by changes in turbidity, and increased the diameter of the fibrils formed, but did not change the banding pattern when compared to collagen

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Webster, Paul. "Cryosections for Immunocytochemistry." Microscopy and Microanalysis 6, S2 (2000): 302–3. http://dx.doi.org/10.1017/s1431927600034000.

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Immunocytochemistry describes methods for visualization of specific intracellular molecules within cells. These methods use high affinity markers to specifically bind to target molecules in tissues or cells. For electron microscopy, the sites where these markers are bound are visualized using electron opaque probes. Successful immunocytochemistry depends upon immobilization of target molecules, retention of subcellular morphology, and upon total accessibility of affinity marker to the target molecules.Accessibility to extracellular molecules is not usually a problem, but for intracellular mole

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21

Yin, Fan, Jianbo De, Han Huang, et al. "Molecular engineering of excited-state process for multicolor microcrystalline lasers." Journal of Materials Chemistry C 10, no. 11 (2022): 4166–72. http://dx.doi.org/10.1039/d1tc05280b.

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We realize multicolor microcrystalline lasers by engineering the excited-state overlap between the stimulated emission and triplet absorption based on the organic molecular design. These molecules possessing both high gain and potential high carrier transport behaviors can be attractive candidates for the electrically pumped organic laser.

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22

Yamane, Junji, Naoki Ohyabu, Min Yao, Hiroshi Takemoto, and Isao Tanaka. "In-crystal chemical ligation for lead compound generation." Journal of Applied Crystallography 43, no. 6 (2010): 1329–37. http://dx.doi.org/10.1107/s0021889810037222.

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A new fragment-based growth strategy for lead compound generation is proposed, which is based onin situchemical ligation and is operable in X-ray-based fragment screening format. The method involves two classes of bifunctional molecules, referred to as anchor molecules and tuning molecules. The anchor molecules are designed to form stable complexes with target proteins and to connect with the tuning molecules. The procedure begins with the introduction of the anchor molecule into the target protein, to which the tuning molecule is linked in the crystal. Proof-of-concept experiments using tryps

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23

Hwang, Inkyu, Jing-Feng Huang, Hidehiro Kishimoto, et al. "T Cells Can Use Either T Cell Receptor or Cd28 Receptors to Absorb and Internalize Cell Surface Molecules Derived from Antigen-Presenting Cells." Journal of Experimental Medicine 191, no. 7 (2000): 1137–48. http://dx.doi.org/10.1084/jem.191.7.1137.

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At the site of contact between T cells and antigen-presenting cells (APCs), T cell receptor (TCR)–peptide–major histocompatibility complex (MHC) interaction is intensified by interactions between other molecules, notably by CD28 and lymphocyte function-associated antigen 1 (LFA-1) on T cells interacting with B7 (B7-1 and B7-2), and intracellular adhesion molecule 1 (ICAM-1), respectively, on APCs. Here, we show that during T cell–APC interaction, T cells rapidly absorb various molecules from APCs onto the cell membrane and then internalize these molecules. This process is dictated by at least

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Tortorella, Attila, and Giuseppe Graziano. "A van der Waals Model of Solvation Thermodynamics." Entropy 26, no. 8 (2024): 714. http://dx.doi.org/10.3390/e26080714.

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Exploiting the van der Waals model of liquids, it is possible to derive analytical formulas for the thermodynamic functions governing solvation, the transfer of a solute molecule from a fixed position in the ideal gas phase to a fixed position in the liquid phase. The solvation Gibbs free energy change consists of two contributions: (a) the high number density of all liquids and the repulsive interactions due to the basic fact that each molecule has its own body leading to the need to spend free energy to produce an appropriate cavity to contain the solute molecule; (b) the ubiquitous intermol

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Gourisankar, Sai. "Abstract SY07-01: Gain-of-function small molecules to reprogram oncogenic transcription factors." Cancer Research 85, no. 8_Supplement_2 (2025): SY07–01—SY07–01. https://doi.org/10.1158/1538-7445.am2025-sy07-01.

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Abstract A principle in the development of cancer therapies is that robust death of the malignant cell is critical. Highly effective strategies, such as immunotherapy, engage this principle. Here I will provide the structural and molecular underpinnings for an approach that leverages chemical induced proximity to produce specific cell killing of diffuse large B cell lymphoma, the most common non-Hodgkin’s lymphoma. We developed Transcriptional/epigenetic Chemical Inducers of Proximity (TCIPs): bivalent molecules that redirect epigenetic factors to activate programmed cell death genes normally

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Sankaranarayanan, Nehru Viji, Bharath Kumar Villuri, Balaji Nagarajan, et al. "Design and Synthesis of Small Molecule Probes of MDA-9/Syntenin." Biomolecules 14, no. 10 (2024): 1287. http://dx.doi.org/10.3390/biom14101287.

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MDA-9/Syntenin, a key scaffolding protein and a molecular hub involved in a diverse range of cell signaling responses, has proved to be a challenging target for the design and discovery of small molecule probes. In this paper, we report on the design and synthesis of small molecule ligands of this key protein. Genetic algorithm-based computational design and the five–eight step synthesis of three molecules led to ligands with affinities in the range of 1–3 µM, a 20–60-fold improvement over literature reports. The design and synthesis strategies, coupled with the structure-dependent gain or los

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Zhou, Mengjie, Jiangyong He, Caiyun Li, et al. "Oscillatory self-organization dynamics between soliton molecules induced by gain fluctuation." Optics Express 29, no. 11 (2021): 16362. http://dx.doi.org/10.1364/oe.427549.

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Ghahramani Seno, Mohammad M., Fuad G. Gwadry, Pingzhao Hu, and Stephen W. Scherer. "Neuregulin 1-alpha regulates phosphorylation, acetylation, and alternative splicing in lymphoblastoid cells." Genome 56, no. 10 (2013): 619–25. http://dx.doi.org/10.1139/gen-2013-0068.

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Neuregulins (NRGs) are signaling molecules involved in various cellular and developmental processes. Abnormal expression and (or) genomic variations of some of these molecules, such as NRG1, have been associated with disease conditions such as cancer and schizophrenia. To gain a comprehensive molecular insight into possible pathways/networks regulated by NRG1-alpha, we performed a global expression profiling analysis on lymphoblastoid cell lines exposed to NRG1-alpha. Our data show that this signaling molecule mainly regulates coordinated expression of genes involved in three processes: phosph

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29

Hare, Stephanie R., and Dean J. Tantillo. "Post-transition state bifurcations gain momentum – current state of the field." Pure and Applied Chemistry 89, no. 6 (2017): 679–98. http://dx.doi.org/10.1515/pac-2017-0104.

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AbstractThe existence of post-transition state bifurcations on potential energy surfaces for organic and biological reaction mechanisms has been known for decades, but recently, new reports of bifurcations have been occurring at a much higher rate. Beyond simply discovering bifurcations, computational chemists are developing techniques to understand what aspects of molecular structure and vibrations control the product selectivity in systems containing bifurcations. For example, the distribution of products seen in simulations has been found to be extremely sensitive to the local environment o

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Kremer, Ran, Shira Roth, Avital Bross, Amos Danielli, and Yair Noam. "Using Temporally and Spatially Resolved Measurements to Improve the Sensitivity of Fluorescence-Based Immunoassays." Biosensors 14, no. 5 (2024): 220. http://dx.doi.org/10.3390/bios14050220.

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Detecting low concentrations of biomarkers is essential in clinical laboratories. To improve analytical sensitivity, especially in identifying fluorescently labeled molecules, typical optical detection systems, consisting of a photodetector or camera, utilize time-resolved measurements. Taking a different approach, magnetic modulation biosensing (MMB) is a novel technology that combines fluorescently labeled probes and magnetic particles to create a sandwich assay with the target molecules. By concentrating the target molecules and then using time-resolved measurements, MMB provides the rapid

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Haro Mares, Nadia B., Sonja C. Döller, Till Wissel, Markus Hoffmann, Michael Vogel, and Gerd Buntkowsky. "Structures and Dynamics of Complex Guest Molecules in Confinement, Revealed by Solid-State NMR, Molecular Dynamics, and Calorimetry." Molecules 29, no. 7 (2024): 1669. http://dx.doi.org/10.3390/molecules29071669.

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This review gives an overview of current trends in the investigation of confined molecules such as water, small and higher alcohols, carbonic acids, ethylene glycol, and non-ionic surfactants, such as polyethylene glycol or Triton-X, as guest molecules in neat and functionalized mesoporous silica materials employing solid-state NMR spectroscopy, supported by calorimetry and molecular dynamics simulations. The combination of steric interactions, hydrogen bonds, and hydrophobic and hydrophilic interactions results in a fascinating phase behavior in the confinement. Combining solid-state NMR and

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Morozov, Giora, Huaying Zhao, Michael Mage та ін. "Tapasin-related protein TAPBPR interacts directly with peptide-free MHC-I/β2-microgolbulin complexes (APP3P.101)". Journal of Immunology 192, № 1_Supplement (2014): 111.2. http://dx.doi.org/10.4049/jimmunol.192.supp.111.2.

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Abstract The molecular mechanism by which MHC-I molecules are loaded with peptides is crucial to fundamental aspects of antigen presentation relating to self-tolerance and CD8 T cell activation. To gain insight into the mechanism of MHC-I peptide loading we have studied human TAPBPR (TAP binding protein-related) protein, which is 22% identical to tapasin in amino acid sequence, widely expressed and IFN-γ inducible, but is not part of the peptide-loading complex (PLC). To understand the interaction of TAPBPR with MHC-I, we produced recombinant soluble TAPBPR and evaluated its interactions with

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Soldatov, V. S., T. V. Bezyazychnaya, and E. G. Kosandrovich. "Visualization of magnesium and rubidium ion hydration in sulfocationite using quantum chemical calculation." Doklady of the National Academy of Sciences of Belarus 65, no. 6 (2021): 692–701. http://dx.doi.org/10.29235/1561-8323-2021-65-6-692-701.

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Based on the data of ab initio calculation of the structure of (RSO3)2Mg (H2O)18 and (RSO3Rb)2(H2O)16 clusters, which simulate the structure of swollen sulfostyrene ion exchangers in the corresponding ionic forms and a water cluster of comparable size, the numbers of water molecules directly bound to cations and their coordination numbers, including the oxygen atoms of the sulfonic groups linked to the cation, were calculated. It is shown that the first molecular layer around the magnesium ion is formed from water molecules with the highest binding energy with the cluster, and around the rubid

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Pálinkás, G., and I. Bakó. "Excess Properties of Water-Methanol Mixtures as Studied by MD Simulations." Zeitschrift für Naturforschung A 46, no. 1-2 (1991): 95–99. http://dx.doi.org/10.1515/zna-1991-1-215.

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AbstractMolecular dynamics simulations with pair interactions reproduce experimental excess properties of methanol-water mixtures. Water molecules lose, and methanol molecules gain neighbours in the mixtures as compared to the solvents. The water-methanol mixture with 0.25 mole fraction of methanol, resulting in extreme values for different excess properties, is characterized by the highest number of molecules with maximal number of H-bonded neighbours.

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Baan, Willem A. "Megamasers in Young Active Galactic Nuclei." Symposium - International Astronomical Union 134 (1989): 402–3. http://dx.doi.org/10.1017/s0074180900141476.

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Megamaser emission provides new insights into the physics of active galactic nuclei. The megamaser phenomenon is consistent with a low-gain amplification model, where inverted foreground molecules amplify the radio continuum from the nucleus. The molecular gas seen in emission in the megamaser galaxies is located between 50 and 300 parsecs from the nucleus covering part of a possible NLR. Megamasers have been found for the molecules OH, H2CO and H2O. However, only OH megamasers form a clearly identifiable group of galaxies. They occur in prominent FIR galaxies and the FIR radiation field serve

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Saponara, Enrica, Rong Chen, Theresia Reding, et al. "Single or combined ablation of peripheral serotonin and p21 limit adipose tissue expansion and metabolic alterations in early adulthood in mice fed a normocaloric diet." PLOS ONE 16, no. 8 (2021): e0255687. http://dx.doi.org/10.1371/journal.pone.0255687.

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Identifying the fundamental molecular factors that drive weight gain even in the absence of hypercaloric food intake, is crucial to enable development of novel treatments for the global pandemic of obesity. Here we investigated both adipose tissue-specific and systemic events that underlie the physiological weight gain occurring during early adulthood in mice fed a normocaloric diet. In addition, we used three different genetic models to identify molecular factors that promote physiological weight gain during normocaloric and hypercaloric diets. We demonstrated that normal physiological weight

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Patti, Angela, and Claudia Sanfilippo. "Breaking Molecular Symmetry through Biocatalytic Reactions to Gain Access to Valuable Chiral Synthons." Symmetry 12, no. 9 (2020): 1454. http://dx.doi.org/10.3390/sym12091454.

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In this review the recent reports of biocatalytic reactions applied to the desymmetrization of meso-compounds or symmetric prochiral molecules are summarized. The survey of literature from 2015 up to date reveals that lipases are still the most used enzymes for this goal, due to their large substrate tolerance, stability in different reaction conditions and commercial availability. However, a growing interest is focused on the use of other purified enzymes or microbial whole cells to expand the portfolio of exploitable reactions and the molecular diversity of substrates to be transformed. Bioc

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Lin, Shiru, Daisy Woodring, Richard D. Sheardy, and Nasrin Mirsaleh-Kohan. "Structural Characteristics, Electronic Properties, and Coupling Behavior of 12-4-12, 12-3-12, 12-2-12 Cationic Surfactants: A First-Principles Computational Investigation and Experimental Raman Spectroscopy." Molecules 29, no. 12 (2024): 2880. http://dx.doi.org/10.3390/molecules29122880.

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In this study, we present a comprehensive first-principles computational investigation focused on the structural characteristics, electronic properties, and coupling integrations of three cationic Gemini surfactants: 12-4-12, 12-3-12, and 12-2-12 ((CH3(CH2)11)(CH3)2-N+-(CH2)n-N+(CH3(CH2)11)(CH3)2, where n = 2, 3, or 4). By employing Density Functional Theory (DFT) computations, we aimed to gain insights into the fundamental aspects of these surfactant molecules, and the intermolecular interactions among these surfactant molecules. We examined different conformers of each surfactant, including

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Sentrayan, K., L. Major, A. Michael, and V. Kushawaha. "Liquid nitrogen and room-temperature SRS gain coefficient in isotopic hydrogen molecules." Journal of Physics D: Applied Physics 25, no. 12 (1992): 1697–701. http://dx.doi.org/10.1088/0022-3727/25/12/004.

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Platonenko, Viktor T., and M. K. Shayakhmetova. "Influence of forbidden transitions on the gain-band structure of XeCl molecules." Soviet Journal of Quantum Electronics 22, no. 4 (1992): 334–36. http://dx.doi.org/10.1070/qe1992v022n04abeh003437.

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Tanwar, Garima, and Rituraj Purohit. "Gain of native conformation of Aurora A S155R mutant by small molecules." Journal of Cellular Biochemistry 120, no. 7 (2019): 11104–14. http://dx.doi.org/10.1002/jcb.28387.

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Fan, Xiaqiong, Senlin Fang, Zhengyan Li, et al. "ICVAE: Interpretable Conditional Variational Autoencoder for De Novo Molecular Design." International Journal of Molecular Sciences 26, no. 9 (2025): 3980. https://doi.org/10.3390/ijms26093980.

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Recent studies have demonstrated that machine learning-based generative models can create novel molecules with desirable properties. Among them, Conditional Variational Autoencoder (CVAE) is a powerful approach to generate molecules with desired physiochemical and pharmacological properties. However, the CVAE’s latent space is still a black-box, making it difficult to understand the relationship between the latent space and molecular properties. To address this issue, we propose the Interpretable Conditional Variational Autoencoder (ICVAE), which introduces a modified loss function that correl

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Irrera, Simona, and Nora H. de Leeuw. "A density functional theory study of the adsorption of uracil on the Au(100) surface." Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences 467, no. 2131 (2011): 1959–69. http://dx.doi.org/10.1098/rspa.2010.0657.

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We have used plane-wave density functional theory methods to explore the adsorption modes and configurations of uracil molecules on a gold surface to gain insight into the rational design of surface functionalization. We have investigated at the molecular level, the interactions of the RNA pyrimidine base uracil molecule isolated on the single crystal (100) surface of the gold substrate to determine the structure of uracil and orientation. Our calculations have shown that the most stable adsorbate structure is the enol tautomer of uracil, which adsorbs flat onto the gold surface through one of

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Yampol'skaya, S. A., A. G. Yastremskiĭ, Yu N. Panchenko, and A. V. Puchikin. "Amplification of laser radiation at the edge of the KrF (B – X) spectral line." Quantum Electronics 52, no. 5 (2022): 437–42. http://dx.doi.org/10.1070/qel18039.

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Abstract We report the results of experimental and numerical studies of the KrF electric discharge amplifier operating on a mixture of He – Kr – F2 gases. The possibility of expanding the short-wavelength spectral region of the induced radiation tuning at the B – X transition of the KrF molecule by removing the inverse population from the upper vibrational states of the electronic B level is shown. It is demonstrated that at the boundary of the active medium gain contour, the measured gain at a wavelength of 246.8 nm is 0.053 cm-1. Using the developed 1D model of the KrF electric discharge amp

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Xu, Baoyuan, Zhenhua Gao, Yanhui Wei, et al. "Dynamically wavelength-tunable random lasers based on metal–organic framework particles." Nanoscale 12, no. 8 (2020): 4833–38. http://dx.doi.org/10.1039/c9nr09644b.

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Gretz, J. Elizabeth, Christopher C. Norbury, Arthur O. Anderson, Amanda E. I. Proudfoot, and Stephen Shaw. "Lymph-Borne Chemokines and Other Low Molecular Weight Molecules Reach High Endothelial Venules via Specialized Conduits While a Functional Barrier Limits Access to the Lymphocyte Microenvironments in Lymph Node Cortex." Journal of Experimental Medicine 192, no. 10 (2000): 1425–40. http://dx.doi.org/10.1084/jem.192.10.1425.

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Lymph-borne, soluble factors (e.g., chemokines and others) influence lymphocyte recirculation and endothelial phenotype at high endothelial venules (HEVs) in lymph node cortex. Yet the route lymph-borne soluble molecules travel from the subcapsular sinus to the HEVs is unclear. Therefore, we injected subcutaneously into mice and rats a wide variety of fluorophore-labeled, soluble molecules and examined their distribution in the draining lymph nodes. Rather than percolating throughout the draining lymph node, all molecules, including microbial lipopolysaccharide, were very visible in the subcap

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TUKHVATULLIN, F. H., U. N. TASHKENBAEV, A. JUMABAEV, H. HUSHVAKTOV, A. ABSANOV, and G. SHARIFOV. "CALCULATIONS AND EXPERIMENTAL STUDIES OF THE AGGREGATION OF MOLECULES OF LIQUID ACETONE BY SPECTRA OF RAMAN SCATTERING." Journal of Nonlinear Optical Physics & Materials 22, no. 02 (2013): 1350022. http://dx.doi.org/10.1142/s0218863513500227.

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Experimental studies of the Raman scattering of the band of C = O vibrations of acetone (1710 cm–1) showed that the parallel and perpendicular polarized components have a large half-width (respectively, 11.6 and 18 cm–1) and also the bands' maxima of these components are shifted by ~5 cm–1. In the neutral solvent (heptane), the difference of the maxima position of the bands decreases. Calculations showed that the molecules of acetone can aggregate to form a dimer with the energy gain of 10.1 kJ/mole. In the dimer several hydrogen bonds are formed between the oxygen atom of one molecule and the

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Struckmeier, Jens. "Some Estimates on the Boltzmann Collision Operator." Mathematical Models and Methods in Applied Sciences 07, no. 07 (1997): 1023–33. http://dx.doi.org/10.1142/s0218202597000517.

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The paper presents some new estimates on the gain term of the Boltzmann collision operator. For Maxwellian molecules, it is shown that the L∞-norm of the gain term can be bounded in terms of the L1- and L∞-norm of the density function f. In the case of more general collision kernels, like the hard-sphere interaction potential, the gain term is estimated pointwise by the L∞-norm of the density function and the loss term of the Boltzmann collision operator.

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Nilsen, TW, R. Getts, and M. Weinstein. "Single Molecule Detection of Fluorescently Labelled DNA Dendrimers." Microscopy and Microanalysis 6, S2 (2000): 856–57. http://dx.doi.org/10.1017/s1431927600036771.

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Single molecule detection has been achieved via many highly sophisticated microscopic techniques. Here we describe the detection of single molecules with conventional epifluorescent microscopy. The key to the technique is the use of DNA dendrimers DNA dendrimers have demonstrated utility in nucleic acid blots, Southerns, Northerns, etc. Typically DNA dendrimers yield 50-100 fold gain in signal over comparably labeled oligonucleotides. Immunodendrimers, DNA dendrimers conjugated to antibody molecules, have also been constructed and utilized in western blot assays. Individual, i.e. single molecu

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Ozdemir, Resul, Donghee Choi, Mehmet Ozdemir, et al. "Ultralow bandgap molecular semiconductors for ambient-stable and solution-processable ambipolar organic field-effect transistors and inverters." Journal of Materials Chemistry C 5, no. 9 (2017): 2368–79. http://dx.doi.org/10.1039/c6tc05079d.

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