• Title/Summary/Keyword: Molecular Spectroscopy

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New Evaluation of Initial Growth Mechanisms of Hydroxyapatite on Self-assembled Collagen Nanofibrils by Using ToF-SIMS and AFM Techniques

  • Park, Young-Jae;Choi, Gyu-Jin;Lee, Tae-Geol;Lee, Won-Jong;Moon, Dae-Won
    • Proceedings of the Korean Vacuum Society Conference
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    • 2010.02a
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    • pp.397-397
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    • 2010
  • Bone is considered as hierarchically organized biocomposites of organic (collagen) and inorganic (hydroxyapatite) materials. The precise structural dependence between hydroxyapatite (HAp, $Ca_{10}(PO_4)_6(OH)_2)$ crystals and collagen fibril is critical to unique characteristics of bone. To meet those conditions and obtain optimal properties, it is essential to understand and control the initial growth mechanisms of hydroxyapatite at the molecular level, such as other nano-structured materials. In this study, collagen fibrils were prepared by adsorbing native type I collagen molecules onto hydrophobic surface. Hydrophobicity was introduced on the Si wafer surface by using PECVD (plasma enhanced chemical vapor deposition) method and cyclohexane as a precursor. Biomimetic nucleation and growth of HAp on the self-assembled collagen nanofibrils were occurred through incubation of the sample in SBF (simulated body fluid). Chemical and morphological evolution of HAp nanocrystals was investigated by surface-sensitive analytical techniques such as ToF-SIMS (Time-of-Flight Secondary Ion Mass Spectrometry) and AFM (Atomic Force Microscopy) in the early growth stages (< 24 hrs). The very initial stages (< 12 hrs) of mineralization could be clearly demonstrated by ToF-SIMS chemical mapping of surface. In addition to ToF-SIMS and AFM measurement, scanning electron microscopy, energy dispersive spectroscopy and X-ray diffraction analysis were conducted to characterize the HAp layer in the late stages. This study is of great importance in the growth of real bone-like materials with a structure analogous to that of natural bones and the development of biomimetic nanomaterials.

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Synthesis and Characteristic of Polythiophene Containing Electron Withdrawing Group (Electron Withdrawing Group을 함유한 Polythiophene의 합성과 특성에 관한 연구)

  • Hong, Hyeok-Jin;Han, Sien-Ho
    • Applied Chemistry for Engineering
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    • v.23 no.6
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    • pp.539-545
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    • 2012
  • 3-(2-benzotriazolovinyl)thiophene (BVT) was synthesized by the connection of the thiophene with the electron-withdrawing group, benzotriazole, through the vinylene. Its structure was confirmed by FT-IR, $^1H$-NMR, $^{13}C$-NMR and 2D hetero-cosy spectroscopy. Both BVT and 3-octylthiophene (OT) were copolymerized and showed an average molecular weight of 12000 (PDI 2.67) and 15000 (PDI 2.55), respectively. The copolymers were dissolved in the organic solvent such as chloroform, THF, TCE, etc. The mole ratios of BVT and OT in the synthesized copolymers were confirmed as 1 : 1.8 and 1 : 2.8 from $^1H$-NMR spectra. The UV-vis maximum absorption of copolymers appeared at the wavelength of 470 nm and 465 nm and the photoluminescence at ${\lambda}_{max}$ = 662 nm and 641 nm correspond to red-orange light. The band gaps of copolymers at 1.96 eV and 2.02 eV were found to be higher than those of poly(3-octylthiophene). The HOMO energy levels of the copolymers decreased overall in comparison with those of poly(3-octylthiophene), but the overall LUMO energy level increased.

Material Transfer of MoS2 Wear Debris to Diamond Probe Tip in Nanoscale Wear test using Friction Force Microscopy (마찰력현미경을 이용한 나노스케일 마멸시험 시 다이아몬드 탐침으로의 MoS2 마멸입자 전이현상)

  • Song, Hyunjun;Lim, Hyeongwoo;Seong, Kwon Il;Ahn, Hyo Sok
    • Tribology and Lubricants
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    • v.35 no.5
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    • pp.286-293
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    • 2019
  • In friction and wear tests that use friction force microscopy (FFM), the wear debris transfer to the tip apex that changes tip radius is a crucial issue that influences the friction and wear performances of films and coatings with nanoscale thicknesses. In this study, FFM tests are performed for bilayer $MoS_2$ film to obtain a better understanding of how geometrical and chemical changes of tip apex influence the friction and wear properties of nanoscale molecular layers. The critical load can be estimated from the test results based on the clear distinction of the failure area. Scanning electron microscopy and energy-dispersive spectroscopy are employed to measure and observe the geometrical and chemical changes of the tip apex. Under normal loads lower than 1000 nN, the reuse of tips enhances the friction and wear performance at the tip-sample interface as the contact pair changes with the increase of tip radius. Therefore, the reduction of contact pressure due to the increase of tip radius by the transfer of $MoS_2$ or Mo-dominant wear debris and the change of contact pairs from diamond/$MoS_2$ to partial $MoS_2$ or Mo/$MoS_2$ can explain the critical load increase that results from tip reuse. We suggest that the wear debris transfer to the tip apex should be considered when used tips are repeatedly employed to identify the tribological properties of ultra-thin films using FFM.

Effect of extrusion of soybean meal on feed spectroscopic molecular structures and on performance, blood metabolites and nutrient digestibility of Holstein dairy calves

  • Berenti, Ammar Mollaei;Yari, Mojtaba;Khalaji, Saeed;Hedayati, Mahdi;Akbarian, Amin;Yu, Peiqiang
    • Animal Bioscience
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    • v.34 no.5
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    • pp.855-866
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    • 2021
  • Objective: Performance and physiological responses of dairy calves may change by using extruded soybean meal (ESBM) instead of common soybean meal (SBM) in starter feed. The aims of the current study were i) to determine the effect of extrusion processing of SBM on protein electrophoretic size, fourier transform infrared spectroscopy (FTIR) structures and Cornell Net Carbohydrate and Protein System (CNCPS) protein subfractions and ii) to determine the effect of substitution of SBM with ESBM in starter feed of Holstein heifer calves during pre and post-weaning on performance, nutrient digestibility, and blood metabolites. Methods: The SBM was substituted with ESBM at the level of 0%, 25%, 50%, 75%, and 100% (dry matter [DM] basis). Fifty heifer calves (initial body weight 40.3±0.63 kg) were used for the study. After birth, animals were fed colostrum for 3 days and then they were fed whole milk until weaning. Animals had free access to starter feed and water during the study. Results: Extrusion of SBM decreased electrophoretic protein size and increased rapidly degradable true protein fraction, changed FTIR protein and amide II region. With increasing level of ESBM in the diet, starter intake increased quadratically during the pre-weaning period (p<0.05) and body weight, DM intake and average daily gain increased linearly during the post-weaning and the whole study period (p<0.05). Tbe DM and crude protein digestibilities at week 14 and blood glucose and beta hydroxybutyric acid increased linearly in calves as the level of ESBM increased in the diet (p<0.05). Conclusion: Dairy calves performance and physiological responses were sensitive to SBM protein characteristics including electrophoretic size, FTIR structures and CNCPS protein fractions.

Understanding Neurogastroenterology From Neuroimaging Perspective: A Comprehensive Review of Functional and Structural Brain Imaging in Functional Gastrointestinal Disorders

  • Kano, Michiko;Dupont, Patrick;Aziz, Qasim;Fukudo, Shin
    • Journal of Neurogastroenterology and Motility
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    • v.24 no.4
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    • pp.512-527
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    • 2018
  • This review provides a comprehensive overview of brain imaging studies of the brain-gut interaction in functional gastrointestinal disorders (FGIDs). Functional neuroimaging studies during gut stimulation have shown enhanced brain responses in regions related to sensory processing of the homeostatic condition of the gut (homeostatic afferent) and responses to salience stimuli (salience network), as well as increased and decreased brain activity in the emotional response areas and reduced activation in areas associated with the top-down modulation of visceral afferent signals. Altered central regulation of the endocrine and autonomic nervous responses, the key mediators of the brain-gut axis, has been demonstrated. Studies using resting-state functional magnetic resonance imaging reported abnormal local and global connectivity in the areas related to pain processing and the default mode network (a physiological baseline of brain activity at rest associated with self-awareness and memory) in FGIDs. Structural imaging with brain morphometry and diffusion imaging demonstrated altered gray- and white-matter structures in areas that also showed changes in functional imaging studies, although this requires replication. Molecular imaging by magnetic resonance spectroscopy and positron emission tomography in FGIDs remains relatively sparse. Progress using analytical methods such as machine learning algorithms may shift neuroimaging studies from brain mapping to predicting clinical outcomes. Because several factors contribute to the pathophysiology of FGIDs and because its population is quite heterogeneous, a new model is needed in future studies to assess the importance of the factors and brain functions that are responsible for an optimal homeostatic state.

Enhanced Expression and Functional Characterization of the Recombinant Putative Lysozyme-PMAP36 Fusion Protein

  • Rao, Zhili;Kim, So Young;Akanda, Md Rashedunnabi;Lee, Su Jin;Jung, In Duk;Park, Byung-Yong;Kamala-Kannan, Seralathan;Hur, Jin;Park, Jung Hee
    • Molecules and Cells
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    • v.42 no.3
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    • pp.262-269
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    • 2019
  • The porcine myeloid antimicrobial peptide (PMAP), one of the cathelicidin family members, contains small cationic peptides with amphipathic properties. We used a putative lysozyme originated from the bacteriophage P22 (P22 lysozyme) as a fusion partner, which was connected to the N-terminus of the PMAP36 peptide, to markedly increase the expression levels of recombinant PMAP36. The PMAP36-P22 lysozyme fusion protein with high solubility was produced in Escherichia coli. The final purified yield was approximately 1.8 mg/L. The purified PMAP36-P22 lysozyme fusion protein exhibited antimicrobial activity against both Gram-negative and Grampositive bacteria (Staphylococcus aureus, Salmonella enterica serovar Typhimurium, Pseudomonas aeruginosa, and Bacillus subtilis). Furthermore, we estimated its hemolytic activity against pig erythrocytes as 6% at the high concentration ($128{\mu}M$) of the PMAP36-P22 lysozyme fusion protein. Compared with the PMAP36 peptide (12%), our fusion protein exhibited half of the hemolytic activity. Overall, our recombinant PMAP36-P22 lysozyme fusion protein sustained the antimicrobial activity with the lower hemolytic activity associated with the synthetic PMAP36 peptide. This study suggests that the PMAP36-P22 lysozyme fusion system could be a crucial addition to the plethora of novel antimicrobials.

Denoising Autoencoder based Noise Reduction Technique for Raman Spectrometers for Standoff Detection of Chemical Warfare Agents (비접촉식 화학작용제 탐지용 라만 분광계를 위한 Denoising Autoencoder 기반 잡음제거 기술)

  • Lee, Chang Sik;Yu, Hyeong-Geun;Park, Jae-Hyeon;Kim, Whimin;Park, Dong-Jo;Chang, Dong Eui;Nam, Hyunwoo
    • Journal of the Korea Institute of Military Science and Technology
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    • v.24 no.4
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    • pp.374-381
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    • 2021
  • Raman spectrometers are studied and developed for the military purposes because of their nondestructive inspection capability to capture unique spectral features induced by molecular structures of colorless and odorless chemical warfare agents(CWAs) in any phase. Raman spectrometers often suffer from random noise caused by their detector inherent noise, background signal, etc. Thus, reducing the random noise in a measured Raman spectrum can help detection algorithms to find spectral features of CWAs and effectively detect them. In this paper, we propose a denoising autoencoder for Raman spectra with a loss function for sample efficient learning using noisy dataset. We conduct experiments to compare its effect on the measured spectra and detection performance with several existing noise reduction algorithms. The experimental results show that the denoising autoencoder is the most effective noise reduction algorithm among existing noise reduction algorithms for Raman spectrum based standoff detection of CWAs.

Dioxygen Binding to Dirhodium(Ⅱ, Ⅱ), (Ⅱ, Ⅲ), and (Ⅲ, Ⅲ) Complexes. Spectroscopic Characterization of $[Rh_{2}(ap)_{4}(O_{2})]^{+},\;Rh_{2}(ap)_{4}(O_{2}),\;and\;[Rh_{2}(ap)_{4}(O_{2})]^-$, where ap=2-anilinopyridinate Ion

  • Lee, Jae-Duck;Yao, Chao-Liang;Capdevielle, Francoise J.;Han, Bao-Cheng;Bear, John L.;Kadish, Karl M.
    • Bulletin of the Korean Chemical Society
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    • v.14 no.2
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    • pp.195-200
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    • 1993
  • The neutral, reduced, and oxidized 2,2-trans isomers of $Rh_2(ap)_4$ (ap=2-anilinopyridinate) were investigated with respect to dioxygen binding in $CH_2Cl_2$ containing 0.1 M tetrabutyl-ammonium perchlorate. $Rh_2(ap)_4$ binds dioxygen in nonaqueous media and forms a $Rh^{II}Rh^{III}$ superoxide complex, $Rh_2(ap)_4(O_2)$. This neutral species was isolated and is characterized by UV-visible and IR spectroscopy, mass spectrometry and cyclic voltammetry. It can be reduced by one electron at $E_{1/2}$ = -0.45 V vs. SCE in $CH_2Cl_2$ and gives ${[Rh_2(ap)_4(O_2)]}^-$ as demonstrated by the ESR spectrum of a frozen solution taken after controlled potential reduction. The superoxide ion in ${[Rh_2(ap)_4(O_2)]}^-$ is axially bound to one of the two rhodium ions, both of which are in a +2 oxidation state. $Rh_2(ap)_4(O_2)$ can also be stepwise oxidized in two one-electron transfer steps at $E_{1/2}$ = 0.21 V and 0.85 V vs. SCE in $CH_2Cl_2$ and gives ${[Rh_2(ap)_4(O_2)]}^+$ followed by ${[Rh_2(ap)_4(O_2)]}^{2+}$. ESR spectra demonstrate that the singly oxidized complex is best described as ${[Rh^{II}Rh^{III}(ap)_4(O_2)]}^+$ where the odd electron is delocalized on both of the two rhodium ions and the axial ligand is molecular oxygen.

N2 plasma treatment of pigments with minute particle sizes to improve their dispersion properties in deionized water

  • Zhang, Jingjing;Park, Yeong Min;Tan, Xing Yan;Bae, Mun Ki;Kim, Dong Jun;Jang, Tae Hwan;Kim, Min Su;Lee, Seung Whan;Kim, Tae Gyu
    • Journal of Ceramic Processing Research
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    • v.20 no.6
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    • pp.589-596
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    • 2019
  • Pigments with minute particle sizes, such as carbon black (CB) and pigment red 48:2 (P.R.48:2), are the most important types of pigment and have been widely used in many industrial applications. However, minute particles have large surface areas, high oil absorption and low surface energy. They therefore tend to be repellent to the vehicle and lose stability, resulting in significant increases in viscosity or reaggregation in the vehicle. Therefore, finding the best way to improve the dispersion properties of minute particle size pigments presents a major technical challenge. In this study, minute particle types of CB and P.R.48:2 were treated with nitrogen gas plasma generated via radio frequency-plasma enhanced chemical vapor deposition (RF-PECVD) to increase the dispersion properties of minute particles in deionized (DI) water. The morphologies and particle sizes of untreated and plasma treated particles were evaluated using scanning electron microscopy (SEM) and atomic force microscopy (AFM). The average distributions of particle size were measured using a laser particle sizer. Fourier transform infrared spectroscopy was carried out on the samples to identify changes in molecular interactions during plasma processing. The results of our analysis indicate that N2 plasma treatment is an effective method for improving the dispersibility of minute particles of pigment in DI water.

Extraction and characterization of pepsin-soluble collagen from different mantis shrimp species

  • Hiransuchalert, Rachanimuk;Oonwiset, Nakaweerada;Imarom, Yolrawee;Chindudsadeegul, Parinya;Laongmanee, Penchan;Arnupapboon, Sukchai
    • Fisheries and Aquatic Sciences
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    • v.24 no.12
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    • pp.406-414
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    • 2021
  • The objective of this study was to investigate the yield and characteristics of collagen protein extracted from the muscle of four different species of mantis shrimp: Miyakella nepa, Harpiosquilla harpax, Erugosquilla woodmasoni, and Odontodactylus cultrifer. Mantis shrimp muscle was extracted by using a pepsin-solubilization technique, with 0.5 M acetic acid and 5% pepsin enzyme. The highest collagen yield was from M. nepa muscle (0.478 ± 0.06%), which was significantly greater (p < 0.05) than that from H. harpax, O. cultrifer, and E. woodmasoni (0.313 ± 0.03%, 0.123 ± 0.02%, and 0.015 ± 0.00%, respectively). The freeze-dried collagen appeared as thin fibers, and formed an opaque film. The pepsin-soluble collagen (PSC) from four mantis shrimp species was analyzed by gel electrophoresis. The results showed that all species of mantis shrimp contained type I collagen, consisting of β, α1, and α2 subunits with average molecular weights of 250, 145, and 118 kDa, respectively. The study of the solubility of collagen showed that, for NaCl, collagen had the highest relative solubility in 2% NaCl (80.20 ± 4.95%). In contrast, the solubility decreased at higher NaCl concentrations. However, in terms of pH, collagen had the highest relative solubility at pH 3 (91.32 ± 5.14%), and its solubility decreased at higher pH. FT-IR spectroscopy was used to compare the collagen with a model compound. Five wavenumbers in the spectrum for model collagen were identified: Amide A (3,406-3,421 cm-1), amide B (2,916-2,940 cm-1), amide I (1,639-1,640 cm-1), amide II (1,539-1,570 cm-1), and amide III (1,234-1,250 cm-1).