• Advances in nano research
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• v.12 no.3
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• pp.291-300
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• 2022

The behavior of hydrogen species on the surface of the catalyst during the Lewis acid transformation to form Brønsted acid sites over the spherical silica-supported WO_x catalyst was investigated. To understand the structure-activity relationship of Lewis acid transformation and hydrogen bonding interactions, we explore the potential of using the in situ diffuse reflection infrared Fourier transform spectroscopy (DRIFTS) with adsorbed ammonia and hydrogen exposure. From the results of in situ DRIFTS measurements, Lewis acid sites on surface catalysts were transformed into new Brønsted acid sites upon hydrogen exposure. The adsorbed NH₃ on Lewis acid sites migrated to Brønsted acid sites forming NH⁴⁺. The results show that the dissociated H atoms present on the catalyst surface formed new Si-OH hydroxyl species - the new Brønsted acid site. Besides, the isolated Si-O-W species is the key towards H-bond and Si-OH formation. Additionally, the H atoms adsorbed surrounding the Si-O-W species of mono-oxo O=WO₄ and di-oxo (O=)₂WO₂ species, where the Si-O-W species are the main species presented on the Inc-SSP catalysts than that of the IWI-SSP catalysts.

• Proceedings of the Korean Society for Bioinformatics Conference
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• 2003.10a
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• pp.17-25
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• 2003

Determining the binding sites in protein-nucleic acid complexes is essential to the complete understanding of protein-nucleic acid interactions and to the development of new drugs. We have developed a set of algorithms for analyzing protein-nucleic acid interactions and for predicting potential binding sites in protein-nucleic acid complexes. The algorithms were used to analyze the hydrogen-bonding interactions in protein-RNA and protein-DNA complexes. The analysis was done both at the atomic and residue level, and discovered several interesting interaction patterns and differences between the two types of nucleic acids. The interaction patterns were used for predicting potential binding sites in new protein-RNA complexes.

• Genomics & Informatics
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• v.15 no.4
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• pp.162-169
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• 2017

Metal binding proteins or metallo-proteins are important for the stability of the protein and also serve as co-factors in various functions like controlling metabolism, regulating signal transport, and metal homeostasis. In structural genomics, prediction of metal binding proteins help in the selection of suitable growth medium for overexpression's studies and also help in obtaining the functional protein. Computational prediction using machine learning approach has been widely used in various fields of bioinformatics based on the fact all the information contains in amino acid sequence. In this study, random forest machine learning prediction systems were deployed with simplified amino acid for prediction of individual major metal ion binding sites like copper, calcium, cobalt, iron, magnesium, manganese, nickel, and zinc.

• Proceedings of the Korean Environmental Sciences Society Conference
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• 1997.10a
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• pp.1.1-32
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• 1997

Atmospheric monitoring capabilities were established in 1988 by the University of Florida at Duke forest, near Durham. NC: Cary forest, near Gainesville, FL: and Austin forest, near Nacogdoches, TX. Continuous (hourly averaged) measurements of air quality (ozone, nitrogen oxides and sulfur dioxide) and meteorological variables were made at these three low elevation (< 200 meters), rural locations in the southeastern U.S. for more than three years. During the same period at these sites wet and dry acid deposition samples were collected and analyzed on an event and weekly basis, respectively The monitoring locations were selected to determine actual atmospheric exposure indices for southern pine species in support of on-site surrogate exposure chamber studies conducted by Southern Commercial Forest Research Cooperative (SCFRC) investigators. Daily and quarterly averaged ozone maxima were higher (55 ppb) at the northernmost site in the network (Duke forest) in the second and third quarters (spring and summer seasons) and lower (35 ppb) in the first and fourth quarters (winter and fall seasons), when compared to ozone levels at the two southernmost sites (Cary and Austin forests). Seasonal ozone levels at the latter two sites were similar Nitrogen oxieds and sulfur dioxide levels were insignificant (< 5 ppb) most of the time at all sites, although soil emissions of NO at two sites were found to influence nighttime ozone concentrations. Typical maximum quarterly and annual aggregate ozone exposure indices were significantly higher at Duke forest (92.5/259 ppm-hr) than those values observed at the two southern sites (65.6/210 ppm-hr). Acid deposition (wet and dry) components concentrations and deposition fluxes observed at the Duke forest, NC piedmont site, were generally greater, dependent on site and season, than corresponding variables measured at either of the two southern coastal plain sites (Cary and Austin forests). Acid deposition variables observed at the latter two sites were remarkably similar, both qualitatively and quantitatively, although the sites were located 1300 km apart. A comparison of deposition fluxes of elemental nitrogen (NO3, NH4') and sulfur (5042-, SO3) components in wet and dry forms indicated that wet deposition accounts for approximately 70% of the total nitrogen and 73% of the total sulfur input on an annual equivalent basis at all sites.

• Journal of Periodontal and Implant Science
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• v.46 no.4
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• pp.277-287
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• 2016

Purpose: The purpose of this study was to evaluate the clinical efficacy of enhancing deficient interdental papilla with hyaluronic acid gel injection by assessing the radiographic anatomical factors affecting the reconstruction of the interdental papilla. Methods: Fifty-seven treated sites from 13 patients (6 males and 7 females) were included. Patients had papillary deficiency in the upper anterior area. Prior to treatment, photographic and periapical radiographic standardization devices were designed for each patient. A 30-gauge needle was used with an injection-assistance device to inject a hyaluronic acid gel to the involved papilla. This treatment was repeated up to 5 times every 3 weeks. Patients were followed up for 6 months after the initial gel application. Clinical photographic measurements of the black triangle area (BTA), height (BTH), and width (BTW) and periapical radiographic measurements of the contact point and the bone crest (CP-BC) and the interproximal distance between roots (IDR) were undertaken using computer software. The interdental papilla reconstruction rate (IPRR) was calculated to determine the percentage change of BTA between the initial and final examination and the association between radiographic factors and the reconstruction of the interdental papilla by means of injectable hyaluronic acid gel were evaluated. Results: All sites showed improvement between treatment examinations. Thirty-six sites had complete interdental papilla reconstruction and 21 sites showed improvement ranging from 19% to 96%. The CP-BC correlated with the IPRR. More specifically, when the CP-BC reached 6 mm, virtually complete interdental papilla reconstruction via injectable hyaluronic acid gel was achieved. Conclusions: These results suggest that the CP-BC is closely related to the efficacy of hyaluronic acid gel injection for interdental papilla reconstruction.

• Applied Chemistry for Engineering
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• v.5 no.3
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• pp.431-437
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• 1994

The role and the formation of surface and bulk acid sites of heteropoly acids were studied by examining ethanol conversion and MTBE (methyl t-butyl ether) decomposition reaction. In ethanol dehydration diethylether was formed on the surface acid site of 12-tungstophosphoric acid, whereas ethylene was formed in the bulk acid site of the catalyst. It was revealed that water reinforced the bulk acid site of the catalyst, while organic base decreased the bulk acid function of the catalyst. The formation of acid sites of metal salts was due to hydrolysis of crystalline water and/or partial substitution of metal, and with hydrogen treatment, the acid site was reappeared. Also catalyst design as a selective oxidation catalyst was possible by controlling acid function of heteropoly acid catalyst.

• BMB Reports
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• v.34 no.3
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• pp.194-200
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• 2001

Secreted arginase from Evernia prunastri thallus has been purified 616-fold from the incubation medium. Purified arginase was resolved as only one peak in a capillary electrophoresis with a pI value of 5.35. The protein contained high amounts of acidic amino acids, such as Asx and Glx, and a relatively high quantity of Ser and Gly. The molecular mass of native, purified arginase was estimated as about 26 kDa by SE-HPLC. Substrate saturated kinetic showed a typical Michaelis-Menten relationship with a K_m value of 3.3 mM L-arginine. Atranorin behaved as a mixed activator of the enzyme (apparent $K_m$ = 0.96 mM); whereas evernic and usnic acid were revealed as non competitive inhibitors (apparent $K_m$ values were 3.16 mM and 3.05 mM, respectively). Kinetics of atranorin binding indicated that saturation was reached from 0.18 ${\mu}mol$ of the total atranorin and the occurrence of multiple sites for the ligand. This agrees with a possible aggregation of several enzyme subunits during the interaction process. A value of binding sites of about 12 was obtained. The binding of evernic acid was saturated from 23 nmol of total phenol. The number of binding sites was about 5. The loss of the binding ability of evernic acid could be interpreted as a single negative cooperatively. Usnic acid behaves in a similar way to evernic acid, although the binding saturation occurs at $0.14\;{\mu}moles$ of the ligand. This binding appears to be unspecific, and has 28 usnic acid binding sites to the protein.

• Bulletin of the Korean Chemical Society
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• v.35 no.9
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• pp.2669-2672
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• 2014

Double bond migration of butene-2 to butene-1 over ${\eta}$-alumina was investigated. The effects of calcination temperature on catalytic properties were analyzed by applying BET surface area, XRD, $NH_3$-TPD, and FT-IR of adsorbed pyridine techniques. The highest activity of the ${\eta}$-alumina catalyst calcined at $600^{\circ}C$ could be attributed not only to the highest amount of weak and medium strength acid sites, but also to the highest ratio of medium to weak strength Lewis acid sites.

• Journal of Photoscience
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• v.1 no.1
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• pp.25-29
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• 1994

Diffuse reflectance and emission spectra of 7-hydroxyquinoline intercalated in the supercage of X and Y zeolites are compared with the absorption and emission spectra of aqueous 7-hydroxyquinoline solutions at various pH to understand protropic and photophysical properties of 7-hydroxyquinoline in zeolite microenvironments. Predominance of zwitterionic spedes with significant existences of the other three protropic equilibrium species, normal, protonated and deprotonated species in zeolite samples indicates that the major fraction of the molecules interact with strong acid and base sites of zeolite at an adsorbed position. Observed zeolite pHs of near neutrality are established by a near balance in numbers of many strong acid and base sites rather than by'small numbers or weakness of acid and base sites. Excitations of nonzwitterionic species such as deprotonated species also give prevailing zwitterionic fluorescence, indicating that excited and ground proton transfer cycles of protropic species can be triggered by photons in organized zeolite media as well as in water.

• Bulletin of the Korean Chemical Society
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• v.23 no.8
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• pp.1103-1105
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• 2002

H-ZSM-5 and γ-alumina were treated with formaldehyde and sodium carbonate. The treatment increased the amounts of weak acid sites, removing strong acid sites. The maximum temperature of weak acid sites in their ammonia TPD spectra shifted in the direction of high temperature. The modified H-ZSM-5 and g-alumina were mixed with the methanol synthesis catalyst to perform dimethyl ether synthesis from syn-gas. The modified catalysts showed better selectivity to dimethyl ether, minimizing the reforming reaction to carbon dioxide. The maximum yield of 53.3% to dimethyl ether was achieved under the reaction conditions of 54.4 atm, 523 K, and the feed rate of 4500 Lhr-1 .gcat-1.