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Journal articles on the topic 'ECD spectroscopy'

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1

Weber, Carina, Stefan Pusch, Dieter Schollmeyer, Sascha Münster-Müller, Michael Pütz, and Till Opatz. "Characterization of the synthetic cannabinoid MDMB-CHMCZCA." Beilstein Journal of Organic Chemistry 12 (December 21, 2016): 2808–15. http://dx.doi.org/10.3762/bjoc.12.279.

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The synthetic cannabinoid MDMB-CHMCZCA was characterized by various spectroscopic techniques including NMR spectroscopy and tandem mass spectrometry. The synthetic sample was found to be of S-configuration by VCD spectroscopy and comparison of the data with DFT calculations, while ECD spectroscopy was found to be inconclusive in this case. The enantiomeric purity of samples from test purchases and police seizures was assessed by a self-developed chiral HPLC method.
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2

Fralish, Gregory B., Brian Dattilo, and David Puett. "Structural Analysis of Yoked Chorionic Gonadotropin-Luteinizing Hormone Receptor Ectodomain Complexes by Circular Dichroic Spectroscopy." Molecular Endocrinology 17, no. 7 (2003): 1192–202. http://dx.doi.org/10.1210/me.2002-0349.

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Abstract Binding of the heterodimeric glycoprotein hormone, chorionic gonadotropin (CG), occurs to the heptahelical LH receptor N-terminal ectodomain (ECD), a large portion of which has been modeled as a leucine-rich repeat protein. In this study, we expressed and purified three single chain N-CG-ECD-C complexes, one comprising the full-length ECD, 1–341 (encoded by exons 1–10 and a portion of 11), and two C-terminal ECD deletion fragments, 1–294 (encoded by exons 1–10) and 1–180 (encoded by exons 1–7). The fusion proteins, including yoked CG (N-β-α-C), were characterized by Western blot analy
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3

Halat, Monika, Magdalena Klimek-Chodacka, Jagoda Orleanska, Malgorzata Baranska, and Rafal Baranski. "Electronic Circular Dichroism of the Cas9 Protein and gRNA:Cas9 Ribonucleoprotein Complex." International Journal of Molecular Sciences 22, no. 6 (2021): 2937. http://dx.doi.org/10.3390/ijms22062937.

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The Streptococcus pyogenes Cas9 protein (SpCas9), a component of CRISPR-based immune system in microbes, has become commonly utilized for genome editing. This nuclease forms a ribonucleoprotein (RNP) complex with guide RNA (gRNA) which induces Cas9 structural changes and triggers its cleavage activity. Here, electronic circular dichroism (ECD) spectroscopy was used to confirm the RNP formation and to determine its individual components. The ECD spectra had characteristic features differentiating Cas9 and gRNA, the former showed a negative/positive profile with maxima located at 221, 209 and 19
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4

Machalska, Ewa, Grzegorz Zając, Malgorzata Baranska, et al. "New chiral ECD-Raman spectroscopy of atropisomeric naphthalenediimides." Chemical Communications 58, no. 28 (2022): 4524–27. http://dx.doi.org/10.1039/d1cc06974h.

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We found that a recently discovered ECD-Raman effect dominated over the natural Raman optical activity in a series of atropisomeric naphthalenediimides, and we studied information about the molecular structure that could be obtained from the spectra.
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5

Migliore, Mattia, Andrea Bonvicini, Vincent Tognetti та ін. "Characterization of β-turns by electronic circular dichroism spectroscopy: a coupled molecular dynamics and time-dependent density functional theory computational study". Physical Chemistry Chemical Physics 22, № 3 (2020): 1611–23. http://dx.doi.org/10.1039/c9cp05776e.

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6

McCann, Jennifer, Arvi Rauk, Gennadii V. Shustov, Hal Wieser та Danya Yang. "Electronic and Vibrational Circular Dichroism of Model β-Lactams: 3-Methyl- and 4-Methylazetidin-2-one". Applied Spectroscopy 50, № 5 (1996): 630–41. http://dx.doi.org/10.1366/0003702963905899.

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The chiroptical properties of the simplest chiral β-lactams, 3- and 4-methylazetidin-2-one, 1 and 2, respectively, were investigated. The experimental vibrational circular dichroism (VCD) and electronic circular dichroism (ECD) spectra were measured and compared with ab initio predictions. Both compounds were found to form dimers with calculated binding enthalpies and free energies of about −51 kJ/mol and −6 to −8 kJ/mol, respectively. The experimentally measured IR and VCD spectra were measured in concentrated nonpolar (CCl4) solution and are in agreement with the predicted IR and VCD spectra
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7

Zubarev, Roman A., Kim F. Haselmann, Bogdan Budnik, Frank Kjeldsen, and Frank Jensen. "Towards An Understanding of the Mechanism of Electron-Capture Dissociation: A Historical Perspective and Modern Ideas." European Journal of Mass Spectrometry 8, no. 5 (2002): 337–49. http://dx.doi.org/10.1255/ejms.517.

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Electron-capture dissociation (ECD) is a new fragmentation technique that utilizes ion–electron recombination reactions. The latter have parallels in other research fields; revealing these parallels helps to understand the ECD mechanism. An overview is given of ECD-related phenomena and of the history of ECD discovery and development. Current views on the ECD mechanism are discussed using both published and new examples.
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8

Le, Quoc Toan, Els Kesters, Yuya Akanishi, Marleen H. van der Veen, Atsushi Mizutani, and Frank Holsteyns. "Effect of Cleaning Chemistries on Cobalt: Surface Chemistries and Electrical Characterization." Solid State Phenomena 282 (August 2018): 263–67. http://dx.doi.org/10.4028/www.scientific.net/ssp.282.263.

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The etching characteristics of ECD cobalt in different cleaning solutions were characterized using four-point probe, spectroscopic ellipsometry, and X-ray photoelectron spectroscopy. 0.05% HF solution with saturated dissolved oxygen concentration was found to result in a substantial etch of ECD cobalt (~5 nm/min). In contrast, cleaning in the SC1 1:4:100 mixture and the formulated mixture led to a significantly lower etch amount, which could be explained by the formation of a passivation layer at the surface. XPS characterization indicated the formation of a cobalt hydroxide at the surface. Th
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9

Santos, Luiz Fernando Arruda, Marcos Nogueira Eberlin, and Fábio Cesar Gozzo. "IRMPD and ECD fragmentation of intermolecular cross-linked peptides." Journal of Mass Spectrometry 46, no. 3 (2011): 262–68. http://dx.doi.org/10.1002/jms.1891.

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10

Prabodh, Amrutha, Yichuan Wang, Stephan Sinn, et al. "Fluorescence detected circular dichroism (FDCD) for supramolecular host–guest complexes." Chemical Science 12, no. 27 (2021): 9420–31. http://dx.doi.org/10.1039/d1sc01411k.

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Fluorescence-detected circular dichroism (FDCD) spectroscopy is applied for the first time to supramolecular host–guest and host–protein systems and compared to the more known electronic circular dichroism (ECD).
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11

Bai, Meng, Guo-Lei Huang, Rong-Qing Mei, et al. "Bioactive Lactones from the Mangrove-Derived Fungus Penicillium sp. TGM112." Marine Drugs 17, no. 8 (2019): 433. http://dx.doi.org/10.3390/md17080433.

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Three new lactones penicilactones A−C (1−3) were obtained from the mangrove-derived fungus Penicillium sp. TGM112. Their structures and absolute configurations were determined by detailed NMR, MS spectroscopic data, Mo2(OAc)4-induced electronic circular dichroism (ECD), and circular dichroism (CD) spectroscopy. Compound 1 showed antibacterial activity against Staphylococcus aureus with an MIC value of 6.25 μg/mL. Compound 2 showed insecticidal activity against newly hatched larvae of Culex quinquefasciatus with the LC50 value of 78.5 (±0.58) μg/mL.
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12

Nakashima, Ken-ichi, Junko Tomida, Takao Hirai, Yoshiaki Kawamura та Makoto Inoue. "Absolute configurations of talaromycones A and B, α-diversonolic ester, and aspergillusone B from endophytic Talaromyces sp. ECN211". Beilstein Journal of Organic Chemistry 16 (28 лютого 2020): 290–96. http://dx.doi.org/10.3762/bjoc.16.28.

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Talaromycones A (1) and B (2), new xanthenediones, were isolated from the cultures of Talaromyces sp. ECN211, an endophytic fungus, along with α-diversonolic ester (3), aspergillusone B (4), glauconic acid (5), and rosellisin (6). The planar structures of 1 and 2 were elucidated by extensive spectroscopic analyses. Furthermore, the absolute configurations of 1–4 were determined by single-crystal X-ray diffraction and electronic circular dichroism spectroscopy (ECD). In addition, the crystallographic data for 5 were updated for the first time in over 50 years.
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13

López Carrillo, Miguel, Maksiem Erkens, Jeffrey A. Fagan, et al. "(Invited) Calibrating Chiroptical Response of Enantiomer-Sorted Single-Wall Carbon Nanotubes Using Hyperspectral Fluorescence Microscopy." ECS Meeting Abstracts MA2025-01, no. 12 (2025): 1004. https://doi.org/10.1149/ma2025-01121004mtgabs.

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Recent advancements in the sorting of SWCNTs have created a vast library of samples varying in diameter, roll-up angle, handedness and filling state. While this diversity is intriguing due to the rich choice of structure-dependent properties, many samples lack high enantiomeric purity hindering advanced applications such as next-generation electronics or biosensing [1]. Chiroptical spectroscopy, notably Electronic Circular Dichroism (ECD) or Raman optical activity (ROA), has emerged as a preferred method for rapidly characterizing enantiomer samples. Although it identifies well the (n,m) struc
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14

Anjum, Komal, Sidra Kaleem, Wenwen Yi, Guowan Zheng, Xiaoyuan Lian, and Zhizhen Zhang. "Novel Antimicrobial Indolepyrazines A and B from the Marine-Associated Acinetobacter sp. ZZ1275." Marine Drugs 17, no. 2 (2019): 89. http://dx.doi.org/10.3390/md17020089.

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Two new alkaloids indolepyrazines A (1) and B (2) were isolated from the marine-derived Acinetobacter sp. ZZ1275. Their structures were elucidated through extensive nuclear magnetic resonance (NMR) spectroscopic analyses, high resolution electrospray ionization mass spectroscopy (HRESIMS) data, and electronic circular dichroism (ECD) calculation. Indolepyrazine A represents the first example of alkaloids with an indole-pyrazine-oxindole skeleton. Both 1 and 2 showed antimicrobial activities against methicillin-resistant Staphylococcus aureus, Escherichia coli, and Candida albicans with minimum
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15

Szilvágyi, Gábor, Zsuzsa Majer, Elemér Vass, and Miklós Hollósi. "Conformational studies on chiral rhodium complexes by ECD and VCD spectroscopy." Chirality 23, no. 4 (2010): 294–99. http://dx.doi.org/10.1002/chir.20916.

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16

Dong, Dongmei, Wenwen Wang, Aline Rougier, et al. "Life-cycling and uncovering cation-trapping evidence of a monolithic inorganic electrochromic device: glass/ITO/WO3/LiTaO3/NiO/ITO." Nanoscale 10, no. 35 (2018): 16521–30. http://dx.doi.org/10.1039/c8nr02267d.

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The visualization of the microstructure change and of the depth of lithium transport inside a monolithic ElectroChromic Device (ECD) is realized using an innovative combined approach of Focused Ion Beam (FIB), Secondary Ion Mass Spectrometry (SIMS) and Glow Discharge Optical Emission Spectroscopy (GDOES).
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17

Voinov, Valery G., Joseph S. Beckman, Max L. Deinzer, and Douglas F. Barofsky. "Electron-capture dissociation (ECD), collision-induced dissociation (CID) and ECD/CID in a linear radio-frequency-free magnetic cell." Rapid Communications in Mass Spectrometry 23, no. 18 (2009): 3028–30. http://dx.doi.org/10.1002/rcm.4209.

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18

Domzalski, Alison, Liliana Margent, Valeria Vigo, et al. "Unambiguous Stereochemical Assignment of Cyclo(Phe-Pro), Cyclo(Leu-Pro), and Cyclo(Val-Pro) by Electronic Circular Dichroic Spectroscopy." Molecules 26, no. 19 (2021): 5981. http://dx.doi.org/10.3390/molecules26195981.

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2,5-diketopiperazines (DKPs) are cyclic dipeptides ubiquitously found in nature. In particular, cyclo(Phe-Pro), cyclo(Leu-Pro), and cyclo(Val-Pro) are frequently detected in many microbial cultures. Each of these DKPs has four possible stereoisomers due to the presence of two chirality centers. However, absolute configurations of natural DKPs are often ambiguous due to the lack of a simple, sensitive, and reproducible method for stereochemical assignment. This is an important problem because stereochemistry is a key determinant of biological activity. Here, we report a synthetic DKP library co
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19

Khan, Imran, Jing Peng, Zhuangjie Fang, et al. "Cylindromicin from Arctic-Derived Fungus Tolypocladium sp. SCSIO 40433." Molecules 26, no. 4 (2021): 1080. http://dx.doi.org/10.3390/molecules26041080.

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The fungus strain SCSIO 40433 was isolated from an Arctic-derived glacier sediment sample and characterized as Tolypocladium cylindrosporum. A new compound, cylindromicin (1), and seven known secondary metabolites (2–8) were isolated from this strain. The chemical structures of these compounds were elucidated by comprehensive spectroscopic analyses. Cylindromicin (1) featured a 3,4-dihydro-2H-pyran skeleton. The absolute configuration of compound 1 was assigned via interpretation of key Nuclear Overhauser Effect Spectroscopy (NOESY) correlations and Electronic Circular Dichroism (ECD) calculat
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20

Satarug, Soisungwan, David A. Vesey, Muneko Nishijo, Werawan Ruangyuttikarn, Glenda C. Gobe, and Kenneth R. Phelps. "The Effect of Cadmium on GFR Is Clarified by Normalization of Excretion Rates to Creatinine Clearance." International Journal of Molecular Sciences 22, no. 4 (2021): 1762. http://dx.doi.org/10.3390/ijms22041762.

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Erroneous conclusions may result from normalization of urine cadmium and N-acetyl-β-D-glucosaminidase concentrations ([Cd]u and [NAG]u) to the urine creatinine concentration ([cr]u). In theory, the sources of these errors are nullified by normalization of excretion rates (ECd and ENAG) to creatinine clearance (Ccr). We hypothesized that this alternate approach would clarify the contribution of Cd-induced tubular injury to nephron loss. We studied 931 Thai subjects with a wide range of environmental Cd exposure. For x = Cd or NAG, Ex/Ecr and Ex/Ccr were calculated as [x]u/[cr]u and [x]u[cr]p/[c
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21

Hříbek, Petr, Lucie Habartová, Kristýna Kubíčková, Johana Klasová, Vladimír Setnička, and Petr Urbánek. "The potential of spectroscopy in the diagnosis of hepatocellular carcinoma – a pilot study." Gastroenterologie a hepatologie 75, no. 5 (2021): 404–9. http://dx.doi.org/10.48095/ccgh2021404.

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Summary: None of the bio­markers studied so far in the HCC area has yielded higher sensitivity and specificity in the early-stage dia­gnosis than the liver ultrasonography examination. There is an urgent clinical need for establishing a laboratory marker for HCC that meets the requirements for high sensitivity and specificity for the screening and early dia­gnosis of at-risk patients. As a variety of pathological processes, including carcinogenesis, may cause changes in both the concentration and the structure and spatial arrangement of body bio­molecules, the spectroscopic analysis of blood-b
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22

Cheng, Zhongbin, Wei Xu, Lijun Liu, et al. "Peniginsengins B–E, New Farnesylcyclohexenones from the Deep Sea-Derived Fungus Penicillium sp. YPGA11." Marine Drugs 16, no. 10 (2018): 358. http://dx.doi.org/10.3390/md16100358.

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Chemical examination of the EtOAc extract of the deep sea-derived fungus Penicillium sp. YPGA11 resulted in the isolation of four new farnesylcyclohexenones, peniginsengins B–E (1–4), and a known analog peniginsengin A (5). The structures of compounds 1–4 were determined on the basis of comprehensive analyses of the nuclear magnetic resonance (NMR) and mass spectroscopy (MS) data, and the absolute configurations of 1, 2, and 4 were determined by comparisons of experimental electronic circular dichroism (ECD) with calculated ECD spectra. Compounds 1–5, characterized by a highly oxygenated 1-met
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23

Mahale, Smita D., John Cavanagh, Anja Schmidt, Robert MacColl, and James A. Dias. "Autologous Biological Response Modification of the Gonadotropin Receptor." Journal of Biological Chemistry 276, no. 15 (2001): 12410–19. http://dx.doi.org/10.1074/jbc.m100115200.

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It is generally held with respect to heterotrimeric guanine nucleotide binding protein-coupled receptors that binding of ligand stabilizes a conformation of receptor that activates adenylyl cyclase. It is not formally appreciated if, in the case of G-protein-coupled receptors with large extracellular domains (ECDs), ECDs directly participate in the activation process. The large ECD of the glycoprotein hormone receptors (GPHRs) is 350 amino acids in length, composed of seven leucine-rich repeat domains, and necessary and sufficient for high affinity binding of the glycoprotein hormones. Peptide
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24

Verbaro, Daniel, Thomas Measey, Indrajit Gosh, Werner Nau, and Reinhard Schweitzer-Stenner. "Investigating Conformational Ensembles in Alanine Based Peptides Using Vibrational and Ecd Spectroscopy." Biophysical Journal 98, no. 3 (2010): 31a—32a. http://dx.doi.org/10.1016/j.bpj.2009.12.184.

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25

Šmidlehner, Tamara, Ivo Piantanida, and Gennaro Pescitelli. "Polarization spectroscopy methods in the determination of interactions of small molecules with nucleic acids – tutorial." Beilstein Journal of Organic Chemistry 14 (January 8, 2018): 84–105. http://dx.doi.org/10.3762/bjoc.14.5.

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The structural characterization of non-covalent complexes between nucleic acids and small molecules (ligands) is of a paramount significance to bioorganic research. Highly informative methods about nucleic acid/ligand complexes such as single crystal X-ray diffraction or NMR spectroscopy cannot be performed under biologically compatible conditions and are extensively time consuming. Therefore, in search for faster methods which can be applied to conditions that are at least similar to the naturally occurring ones, a set of polarization spectroscopy methods has shown highly promising results. E
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26

Takats, Zoltan, Vaclav Kobliha, Karel Sevcik, et al. "Characterization of DESI-FTICR mass spectrometry—from ECD to accurate mass tissue analysis." Journal of Mass Spectrometry 43, no. 2 (2008): 196–203. http://dx.doi.org/10.1002/jms.1285.

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27

Moriou, Céline, Damien Lacroix, Sylvain Petek, et al. "Bioactive Bromotyrosine Derivatives from the Pacific Marine Sponge Suberea clavata (Pulitzer-Finali, 1982)." Marine Drugs 19, no. 3 (2021): 143. http://dx.doi.org/10.3390/md19030143.

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Chemical investigation of the South-Pacific marine sponge Suberea clavata led to the isolation of eight new bromotyrosine metabolites named subereins 1–8 (2–9) along with twelve known co-isolated congeners. The detailed configuration determination of the first representative major compound of this family 11-epi-fistularin-3 (11R,17S) (1) is described. Their chemical characterization was achieved by HRMS and integrated 1D and 2D NMR (nuclear magnetic resonance) spectroscopic studies and extensive comparison with literature data. For the first time, a complete assignment of the absolute configur
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28

Riancho, José A., José L. Hernández, Carmen González-Vela, et al. "Erdheim–Chester Disease Due to a Novel Internal Duplication of NRAS: Response to Targeted Therapy with Cobimetinib." International Journal of Molecular Sciences 24, no. 20 (2023): 15467. http://dx.doi.org/10.3390/ijms242015467.

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Histiocytoses encompass a group of exceptionally rare disorders characterized by the abnormal infiltration of tissues by histocytes. Among these, Erdheim–Chester disease (ECD) stands out as a multisystem histiocytosis that typically affects bones and various other tissues. Historically, the treatment of ECD has been challenging. However, recent breakthroughs in our understanding, particularly the discovery of somatic mutations in the RAS-MAPK pathway, have opened new opportunities for targeted therapy in a significant subset of patients with ECD and other histiocytoses. In this report, we pres
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29

Mosely, Jackie A., Benjamin S. Murray, and David Parker. "Electron-Capture Dissociation and Collision-Induced Dissociation of Lanthanide Metal–Ligand Complexes and Lanthanide Metal–Ligand Complexes Bound to Phosphopeptides." European Journal of Mass Spectrometry 15, no. 2 (2009): 145–55. http://dx.doi.org/10.1255/ejms.941.

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Collision-induced dissociation (CID) and electron-capture dissociation (ECD) of lanthanide metal(III)–ligand complexes and lanthanide metal(III)–ligand–phosphopeptide complexes have been investigated using a Fourier transform-ion cyclotron resonance mass spectrometer (FT-ICR MS). Ternary adducts were formed for [LnL3+ + solvent anion(s) n–](3– n)+ [Ln = europium, terbium and ytterbium, L = heptadentate ligand, solvent anion = acetate or trifluoromethane-sulphonate (triflate)]. Results show that ECD provides much more diagnostically useful information than CID. ECD was found to systematically c
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30

Marsico, Giulia, Umberto Calice, Patrizia Scafato, Sandra Belviso, Antonio Evidente, and Stefano Superchi. "Computational Approaches and Use of Chiroptical Probes in the Absolute Configuration Assignment to Natural Products by ECD Spectroscopy: A 1,2,3-Trihydroxy-p-menthane as a Case Study." Biomolecules 12, no. 3 (2022): 421. http://dx.doi.org/10.3390/biom12030421.

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In this study, the computational analysis of electronic circular dichroism (ECD) spectra and the employment of biphenyl chiroptical probes were compared in the absolute configuration assignment of (-)-1α,2α,3β-trihydroxy-p-menthane (1), taken as a representative example of a UV-transparent chiral natural product. The usefulness of chiroptical probes in the configurational assignments of natural products and their complementarity to the computational protocols is herein highlighted. The biphenyl probe approach proves to be straightforward, reliable, and suitable for conformationally mobile and
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31

Wolff, Jeremy J., Tatiana N. Laremore, Franklin E. Leach, Robert J. Linhardt, and I. Jonathan Amster. "Electron Capture Dissociation, Electron Detachment Dissociation and Infrared Multiphoton Dissociation of Sucrose Octasulfate." European Journal of Mass Spectrometry 15, no. 2 (2009): 275–81. http://dx.doi.org/10.1255/ejms.951.

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The structural analysis of sulfated carbohydrates such as glycosaminoglycans (GAGs) has been a long-standing challenge for the field of mass spectrometry. The dissociation of sulfated carbohydrates by collisionally-activated dissociation (CAD) or infrared multiphoton dissociation (IRMPD), which activate ions via vibrational excitation, typically result in few cleavages and abundant SO3 loss for highly sulfated GAGs such as heparin and heparan sulfate, hampering efforts to determine sites of modification. The recent application of electron activation techniques, specifically electron capture di
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32

Cheng, Zhongbin, Yuanli Li, Wan Liu та ін. "Butenolide Derivatives with α-Glucosidase Inhibitions from the Deep-Sea-Derived Fungus Aspergillus terreus YPGA10". Marine Drugs 17, № 6 (2019): 332. http://dx.doi.org/10.3390/md17060332.

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Three new butenolide derivatives, namely aspernolides N–P (1–3), together with six known analogues (4–9), were isolated from the ethyl acetate (EtOAc) extract of the deep sea-derived fungus Aspergillus terreus YPGA10. The structures of compounds 1–3 were determined on the basis of comprehensive analyses of the nuclear magnetic resonance (NMR) and mass spectroscopy (MS) data, and the absolute configurations of 1 and 2 were determined by comparisons of experimental electronic circular dichroism (ECD) with calculated ECD spectra. Compound 1 represents the rare example of Aspergillus-derived buten
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33

Imanaka, Masaaki, Minoru Kadota, Kazuo Kumashiro, and Tadashige Mori. "Identification of Phylloquinone (Vitamin K1) as an Unknown Peak in Electron Capture Detection Gas Chromatograms of Pyrethroid Insecticide Residues." Journal of AOAC INTERNATIONAL 79, no. 2 (1996): 538–43. http://dx.doi.org/10.1093/jaoac/79.2.538.

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Abstract An unknown peak was observed in spinach extract during routine analysis of 7 pyrethroid insecticides by gas chromatography with electron capture detection (GC-ECD) using a DB-1 column (20 m x 0.25 mm id, 0.1 μm film thickness). It eluted later than the 7 pyrethroids, and it was also found in other agricultural crops. The intensity of the unknown peak was related to the green color of the sample: It was absent in white vegetables such as radish root or onion. Data from GC/direct deposi- tion/Fourier-transform infrared spectroscopy (FTIR) suggested it might be phylloquinone (vitamin K1)
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Li, Jing, Yi-sheng Zhong, Jie Yuan, et al. "A New Terminal Cyano Group-containing Benzodiazepine Alkaloid from the Mangrove Endophytic Fungus Penicillium sp." Natural Product Communications 10, no. 9 (2015): 1934578X1501000. http://dx.doi.org/10.1177/1934578x1501000916.

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A new benzodiazepine alkaloid containing terminal cyano group has been isolated from a mangrove endophytic fungus, Penicillium 299#. Structure elucidation was determined by 1D and 2D NMR spectroscopy and the absolute configuration was determined by electronic circular dichroism (ECD). The new compound showed no cytotoxic activities in vitro against human cancer lines MDA-MB-435, HepG2, HCT-116, and Calu-3.
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35

Li, Hongxu, Xinyi Liu, Xiaofan Li, Zhangli Hu, and Liyan Wang. "Novel Harziane Diterpenes from Deep-Sea Sediment Fungus Trichoderma sp. SCSIOW21 and Their Potential Anti-Inflammatory Effects." Marine Drugs 19, no. 12 (2021): 689. http://dx.doi.org/10.3390/md19120689.

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Five undescribed harziane-type diterpene derivatives, namely harzianol K (1), harzianol L (4), harzianol M (5), harzianol N (6), harzianol O (7), along with two known compounds, hazianol J (2) and harzianol A (3) were isolated from the deep-sea sediment-derived fungus Trichoderma sp. SCSIOW21. The relative configurations were determined by meticulous spectroscopic methods including 1D, 2D NMR spectroscopy, and HR-ESI-MS. The absolute configurations were established by the ECD curve calculations and the X-ray crystallographic analysis. These compounds (1, and 4–7) contributed to increasing the
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36

Yong, Kuo, Sidra Kaleem, Bin Wu, and Zhizhen Zhang. "New Antiproliferative Compounds against Glioma Cells from the Marine-Sourced Fungus Penicillium sp. ZZ1750." Marine Drugs 19, no. 9 (2021): 483. http://dx.doi.org/10.3390/md19090483.

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Seven novel compounds, namely peniresorcinosides A–E (1–5), penidifarnesylin A (6), and penipyridinone A (7), together with the 11 known ones 8–17, were isolated from a culture of the marine-associated fungus Penicillium sp. ZZ1750 in rice medium. The structures of the new compounds were established based on their high-resolution electrospray ionization mass spectroscopy (HRESIMS) data, extensive nuclear magnetic resonance (NMR) spectroscopic analyses, chemical degradation, Mosher’s method, 13C-NMR calculations, electronic circular dichroism (ECD) calculations, and single crystal X-ray diffrac
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Guo, Heng, Zhao-Ming Liu, Yu-Chan Chen, et al. "Chromone-Derived Polyketides from the Deep-Sea Fungus Diaporthe phaseolorum FS431." Marine Drugs 17, no. 3 (2019): 182. http://dx.doi.org/10.3390/md17030182.

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Five new chromone-derived polyketides phaseolorins A-F (1–5), together with nine known compounds, were isolated from the deep-sea derived fungus Diaporthe phaseolorum FS431. The structures of new compounds were determined by analysis of their NMR and high-resolution electrospray ionization mass spectroscopy (HRESIMS) spectroscopic data. The absolute configurations were confirmed by chemical transformations, extensively experimental electron capture detection (ECD) calculations, or X-ray crystallography. Among them, compound 2 represented the first example for a new family of chromone derivativ
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Xiong, Li-Kun, and Cui-Yu Yin. "Preparation and characterization of cationic dyeable polycaprolactam modified with 5-sulfoisophthalic acid sodium and poly(ethylene glycol)." Textile Research Journal 87, no. 4 (2016): 433–43. http://dx.doi.org/10.1177/0040517516631322.

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Unmodified nylon is dyeable to a single color only, and is almost exclusively dyed with acid dyes that are absorbed with amine groups of nylon molecules. Two types of polycaprolactam (PA6) copolyamide were successfully prepared with 5-sulfoisophthalic acid monosodium salt and poly(ethylene glycol) (PEG) units named cationic dyeable polyamide (CD-PA6) and easy cationic dyeable polyamide (ECD-PA6). The chemical and crystalline structures of CD-PA6 and ECD-PA6 were characterized by Fourier transform infrared spectroscopy and wide angle x-ray diffraction, and their thermal properties were tested b
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Yi, Wenwen, Le Qin, Xiao-Yuan Lian, and Zhizhen Zhang. "New Antifungal Metabolites from the Mariana Trench Sediment-Associated Actinomycete Streptomyces sp. SY1965." Marine Drugs 18, no. 8 (2020): 385. http://dx.doi.org/10.3390/md18080385.

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New streptothiazolidine A (1), streptodiketopiperazines A (2) and B (3), and (S)-1-(3-ethylphenyl)-1,2-ethanediol (4), together with eight known compounds (5–12), were isolated from the Mariana Trench sediment-associated actinomycete Streptomyces sp. SY1965. The racemic mixtures of (±)-streptodiketopiperazine (2 and 3) and (±)-1-(3-ethylphenyl)-1,2-ethanediol (4 and 5) were separated on a chiral high-performance liquid chromatography (HPLC) column. Structures of the new compounds were elucidated by their high-resolution electrospray ionization mass spectroscopy (HRESIMS) data and extensive nuc
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Bernard, M. C., and A. Hugot-Le Goff. "Reactions at the two sides of an ECD device studied by Raman spectroscopy." Synthetic Metals 102, no. 1-3 (1999): 1342–45. http://dx.doi.org/10.1016/s0379-6779(98)00233-1.

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Tedesco, Daniele, Riccardo Zanasi, Irving W. Wainer, and Carlo Bertucci. "Stereochemical and conformational study on fenoterol by ECD spectroscopy and TD-DFT calculations." Journal of Pharmaceutical and Biomedical Analysis 91 (March 2014): 92–96. http://dx.doi.org/10.1016/j.jpba.2013.12.018.

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Alshalalfeh, Mutasem, and Yunjie Xu. "Chiroptical Spectroscopy, Theoretical Calculations, and Symmetry of a Chiral Transition Metal Complex with Low-Lying Electronic States." Molecules 30, no. 4 (2025): 804. https://doi.org/10.3390/molecules30040804.

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Vibrational circular dichroism (VCD) enhancement by low-lying electronic states (LLESs) is a fascinating phenomenon, but accounting for it theoretically remains a challenge despite significant research efforts over the past 20 years. In this article, we synthesized two transition metal complexes using the tetradentate Schiff base ligands (R,R)- and (S,S)-N,N′-Bis(3,5-di-tert-butylsalicylidene)-1,2-cyclohexanediamine with Co(II) and Mn(III), referred to as Co(II)-salen-chxn and Mn(III)-Cl-salen-chxn, respectively. Their stereochemical properties were explored through a combined experimental chi
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Sucharitakul, Sukrit, Rangsan Panyathip, and Supab Choopun. "Effect of Annealing Temperature on ECD Grown Hexagonal-Plane Zinc Oxide." Materials 11, no. 8 (2018): 1360. http://dx.doi.org/10.3390/ma11081360.

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Zinc oxide (ZnO) offers a great potential in several applications from sensors to Photovoltaic cells thanks to the material’s dependency, to its optical and electrical properties and crystalline structure architypes. Typically, ZnO powder tends to be grown in the form of a wurtzite structure allowing versatility in the phase of material growths; albeit, whereas in this work we introduce an alternative in scalable yet relatively simple 2D hexagonal planed ZnO nanoflakes via the electrochemical deposition of commercially purchased Zn(NO3)2 and KCl salts in an electrochemical process. The resulti
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Shamseali, Fahimeh, Farzaneh Mohammadi, Hamidreza Pourzamani, and Mahsa Janati. "Electrochemical Denitrification of Synthetic Aqueous Solution and Actual Contaminated Well Water: RSM Modeling, Kinetic Study, Monte Carlo Optimization, and Sensitivity Analysis." International Journal of Chemical Engineering 2022 (October 28, 2022): 1–15. http://dx.doi.org/10.1155/2022/1374993.

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The process of electrochemical denitrification is applied with the aim of converting nitrate ( NO 3 − ) to N2 gas by reducing nitrate and oxidizing by-products such as ammonia ( NH 4 + ). In this study, Ti/RuO2 and graphite were used as anode and cathode electrodes, respectively, to treat synthetic aqueous solutions containing different concentrations of nitrate ions. Nitrate initial concentration (2.75–55 mg NO3-N/lit), voltage (2.5–30 V), pH (3–13), electrode distance (ED = 0.5–3.5 cm), and reaction time (10–180 min) were the main studied operating parameters for the electrochemical denitrif
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Fan, Ting-Ting, Hui-Hui Zhang, Yang-Hua Tang, Fan-Zhong Zhang, and Bing-Nan Han. "Two New Neo-debromoaplysiatoxins—A Pair of Stereoisomers Exhibiting Potent Kv1.5 Ion Channel Inhibition Activities." Marine Drugs 17, no. 12 (2019): 652. http://dx.doi.org/10.3390/md17120652.

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A pair of stereoisomers possessing novel structures with 6/6/5 fused-ring systems, neo-debromoaplysiatoxin E (1) and neo-debromoaplysiatoxin F (2), were isolated from the marine cyanobacterium Lyngbya sp. Their structures were elucidated using various spectroscopic techniques including high resolution electrospray ionization mass spectroscopy (HRESIMS) and nuclear magnetic resonance (NMR). The absolute stereochemistry was determined by calculated electronic circular dichroism (ECD) and gauge-independent atomic orbital (GIAO) NMR shift calculation followed by DP4+ analysis. Significantly, this
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Kaennakam, Sutin, Thammarat Aree, Kitiya Rassamee, Pongpun Siripong, and Santi Tip-pyang. "A New Tocopherol Derivative and Cytotoxicity from the Leaves of Dalbergia velutina." Natural Product Communications 13, no. 12 (2018): 1934578X1801301. http://dx.doi.org/10.1177/1934578x1801301212.

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A new tocopherol derivative, named (+)-α-tocuspirone (1), along with eleven known compounds, including six tocopherol derivatives (2–7) and five triterpenes (8–12) were isolated from the leaves of Dalbergia velutina. Their structures were determined by spectroscopic analysis especially NMR spectroscopy. The absolute configurations of 1 and 2 were assigned by NOESY experiments and ECD calculations. All isolated compounds were evaluated for their cytotoxicity against five cancer cell lines (KB, HeLa S-3, HT-29, MCF-7 and HepG-2). Dioslupecin A (10) showed potent cytotoxicity against all the five
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Schmandt, Nicolaus, Phanindra Velisetty, Sreevatsa V. Chalamalasetti, et al. "A chimeric prokaryotic pentameric ligand–gated channel reveals distinct pathways of activation." Journal of General Physiology 146, no. 4 (2015): 323–40. http://dx.doi.org/10.1085/jgp.201511478.

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Recent high resolution structures of several pentameric ligand–gated ion channels have provided unprecedented details of their molecular architecture. However, the conformational dynamics and structural rearrangements that underlie gating and allosteric modulation remain poorly understood. We used a combination of electrophysiology, double electron–electron resonance (DEER) spectroscopy, and x-ray crystallography to investigate activation mechanisms in a novel functional chimera with the extracellular domain (ECD) of amine-gated Erwinia chrysanthemi ligand–gated ion channel, which is activated
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Nicu, Valentin Paul, Attila Mándi, Tibor Kurtán, and Prasad L. Polavarapu. "On the Complementarity of ECD and VCD Techniques." Chirality 26, no. 9 (2014): 525–31. http://dx.doi.org/10.1002/chir.22330.

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Satarug, Soisungwan, David A. Vesey, and Glenda C. Gobe. "Cadmium-Induced Proteinuria: Mechanistic Insights from Dose–Effect Analyses." International Journal of Molecular Sciences 24, no. 3 (2023): 1893. http://dx.doi.org/10.3390/ijms24031893.

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Cadmium (Cd) is a toxic metal that accumulates in kidneys, especially in the proximal tubular epithelial cells, where virtually all proteins in the glomerular ultrafiltrate are reabsorbed. Here, we analyzed archived data on the estimated glomerular filtration rate (eGFR) and excretion rates of Cd (ECd), total protein (EProt), albumin (Ealb), β2-microglobulin (Eβ2M), and α1-microglobulin (Eα1M), which were recorded for residents of a Cd contamination area and a low-exposure control area of Thailand. Excretion of Cd and all proteins were normalized to creatinine clearance (Ccr) as ECd/Ccr and EP
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Zellweger, Christoph, Rainer Steinbrecher, Olivier Laurent, et al. "Recent advances in measurement techniques for atmospheric carbon monoxide and nitrous oxide observations." Atmospheric Measurement Techniques 12, no. 11 (2019): 5863–78. http://dx.doi.org/10.5194/amt-12-5863-2019.

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Abstract. Carbon monoxide (CO) and nitrous oxide (N2O) are two key parameters in the observation of the atmosphere, relevant to air quality and climate change, respectively. For CO, various analytical techniques have been in use over the last few decades. In contrast, N2O was mainly measured using gas chromatography (GC) with an electron capture detector (ECD). In recent years, new spectroscopic methods have become available which are suitable for both CO and N2O. These include infrared (IR) spectroscopic techniques such as cavity ring-down spectroscopy (CRDS), off-axis integrated cavity outpu
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