Rational design of a glycosynthase by the crystal structure of β-galactosidase from Bacillus circulans (BgaC) and its use for the synthesis of N-acetyllactosamine type 1 glycan structures

Henze, M.,You, D.J.,Kamerke, C.,Hoffmann, N.,Angkawidjaja, C.,Ernst, S.,Pietruszka, J.,Kanaya, S.,Elling, L. Elsevier Science Publishers 2014 Journal of biotechnology Vol.191 No.-

The crystal structure of β-galactosidase from Bacillus circulans (BgaC) was determined at 1.8A resolution. The overall structure of BgaC consists of three distinct domains, which are the catalytic domain with a TIM-barrel structure and two all-β domains (ABDs). The main-chain fold and steric configurations of the acidic and aromatic residues at the active site were very similar to those of Streptococcus pneumoniae β(1,3)-galactosidase BgaC in complex with galactose. The structure of BgaC was used for the rational design of a glycosynthase. BgaC belongs to the glycoside hydrolase family 35. The essential nucleophilic amino acid residue has been identified as glutamic acid at position 233 by site-directed mutagenesis. Construction of the active site mutant BgaC-Glu233Gly gave rise to a galactosynthase transferring the sugar moiety from α-d-galactopyranosyl fluoride (αGalF) to different β-linked N-acetylglucosamine acceptor substrates in good yield (40-90%) with a remarkably stable product formation. Enzymatic syntheses with BgaC-Glu233Gly afforded the stereo- and regioselective synthesis of β1-3-linked key galactosides like galacto-N-biose or lacto-N-biose.

Dimension Reduction, Error Estimation, and the Randomized Incremental Optimal Technique (RIOT) for Large-scale Bayesian Atmospheric Inversions and Data Assimilation

Daven K. Henze 한국대기환경학회 2017 한국대기환경학회 학술대회논문집 Vol.2017 No.11

Identifying local anthropogenic CO₂ emissions with satellite retrievals: a case study in South Korea

Shim, Changsub,Han, Jihyun,Henze, Daven K.,Yoon, Taeyeon Taylor & Francis 2019 International Journal of Remote Sensing Vol. No.

Requirement Analysis of Lidar Sensor Setups for Self-Localization in Automated Valet Parking

Marcel Kascha,Roman Henze 제어로봇시스템학회 2022 제어로봇시스템학회 국제학술대회 논문집 Vol.2022 No.11

In the use case of automated valet parking (AVP), localization must be accomplished based on environmental sensors due to the lack of satellite visibility. Previous research has presented suitable methods, which, on the other hand, generally apply a 360° lidar setup. In order to achieve a series introduction of AVP, it is necessary from an economic point of view to achieve self-localization with scaled-down sensor setups that correspond to the current state of series production. Addressing this challenge, this work investigates to what extent a 360° lidar reference sensor setup can be reduced in order to achieve sufficiently robust self-localization in parking garage environments. The investigations are carried out in a real environment in two parking garages in conjunction with a test vehicle equipped with a 360° lidar reference setup. On the basis of a definition of different sensor arrangements, a parameter variation is carried out. As evaluation basis for the requirement analysis, a self-localization based on a modified iterative closest point (ICP) algorithm introduced in the scope of the work is applied.

동아시아 암모니아 배출원의 재분석

심창섭,한지현,정의택,Daven K. Henze 한국대기환경학회 2018 한국대기환경학회 학술대회논문집 Vol.2018 No.10

_{PM 2 . 5} source attribution for Seoul in May from 2009 to 2013 using GEOS-Chem and its adjoint model

Lee, Hyung-Min,Park, Rokjin J.,Henze, Daven K.,Lee, Seungun,Shim, Changsub,Shin, Hye-Jung,Moon, Kwang-Joo,Woo, Jung-Hun Elsevier Applied Science Publishers 2017 Environmental pollution Vol.221 No.-

<P><B>Abstract</B></P> <P>Enforcement of an air quality standard for <SUB> PM 2 . 5 </SUB> in the Seoul metropolitan area (SMA) was enacted in 2015. From May to June of 2016, an international airborne and surface measurement campaign took place to investigate air pollution mechanisms in the SMA. The total and speciated <SUB> PM 2 . 5 </SUB> concentrations since 2008 have been measured at an intensive monitoring site for the SMA operated by the National Institute of Environmental Research (NIER). To gain insight on the trends and sources of <SUB> PM 2 . 5 </SUB> in the SMA in May, we analyze <SUB> PM 2 . 5 </SUB> concentrations from 2009 to 2013 using the measurements and simulations from a 3-dimensional global chemical transport model, GEOS-Chem and its adjoint. The model is updated here with the latest regional emission inventory and diurnally varying <SUB> NH 3 </SUB> emissions. Monthly average <SUB> PM 2 . 5 </SUB> concentration measured by <I>β</I>-ray attenuation ranges from 28 (2010) to 45 (2013) <I>μ</I>g/m<SUP>3</SUP>, decreased from 2009 to 2010, and then continuously increased until 2013. The model shows good agreement with the measurements for the daily average <SUB> PM 2 . 5 </SUB> concentrations (R ≥ 0.5), and reproduces 10 out of 17 measured episodes exceeding the daily air quality standard (50 <I>μ</I>g/m<SUP>3</SUP>). Using the GEOS-Chem adjoint model, we find that anthropogenic emissions from the Shandong region have the largest modeled influence on <SUB> PM 2 . 5 </SUB> in Seoul in May. Average contributions to the high <SUB> PM 2 . 5 </SUB> episodes simulated by the model are 39% from the Shandong region, 16% from the Shanghai region, 14% from the Beijing region, and 15% from South Korea. Anthropogenic <SUB> SO 2 </SUB> emissions from South Korea are negligible with 90% of the total contribution originating from China. Findings from this study may guide interpretation of observations obtained in the KORUS-AQ measurement campaign.</P> <P><B>Highlights</B></P> <P> <UL> <LI> Sources of PM2.5 of Seoul in May from 2009 to 2013 are investigated. </LI> <LI> Model emissions are updated with the new inventory for the best estimation. </LI> <LI> Contributions of Eastern China (69%) and South Korea (15%) to Seoul are identified. </LI> </UL> </P> <P><B>Graphical abstract</B></P> <P>[DISPLAY OMISSION]</P>

Adjoint inversion of Chinese non-methane volatile organic compound emissions using space-based observations of formaldehyde and glyoxal

Cao, Hansen,Fu, Tzung-May,Zhang, Lin,Henze, Daven K.,Miller, Christopher Chan,Lerot, Christophe,Abad, Gonzalo Gonzá,lez,De Smedt, Isabelle,Zhang, Qiang,van Roozendael, Michel,Hendrick, Fran&cced Copernicus GmbH 2018 Atmospheric Chemistry and Physics Vol.18 No.20

<P><p><strong>Abstract.</strong> We used the GEOS-Chem model and its adjoint to quantify Chinese non-methane volatile organic compound (NMVOC) emissions for the year 2007, using the tropospheric column concentrations of formaldehyde and glyoxal observed by the Global Ozone Monitoring Experiment 2A (GOME-2A) instrument and the Ozone Monitoring Instrument (OMI) as quantitative constraints. We conducted a series of inversion experiments using different combinations of satellite observations to explore their impacts on the top-down emission estimates. Our top-down estimates for Chinese annual total NMVOC emissions were 30.7 to 49.5 (average 41.9) Tg<span class='thinspace'></span>yr<span class='inline-formula'>⁻¹</span>, including 16.4 to 23.6 (average 20.2) Tg<span class='thinspace'></span>yr<span class='inline-formula'>⁻¹</span> from anthropogenic sources, 12.2 to 22.8 (average 19.2) Tg<span class='thinspace'></span>yr<span class='inline-formula'>⁻¹</span> from biogenic sources, and 2.08 to 3.13 (average 2.48) Tg<span class='thinspace'></span>yr<span class='inline-formula'>⁻¹</span> from biomass burning. In comparison, the a priori estimate for Chinese annual total NMVOC emissions was 38.3<span class='thinspace'></span>Tg<span class='thinspace'></span>yr<span class='inline-formula'>⁻¹</span>, including 18.8<span class='thinspace'></span>Tg<span class='thinspace'></span>yr<span class='inline-formula'>⁻¹</span> from anthropogenic sources, 17.3<span class='thinspace'></span>Tg<span class='thinspace'></span>yr<span class='inline-formula'>⁻¹</span> from biogenic sources, and 2.27<span class='thinspace'></span>Tg<span class='thinspace'></span>yr<span class='inline-formula'>⁻¹</span> from biomass burning. The simultaneous use of glyoxal and formaldehyde observations helped distinguish the NMVOC species from different sources and was essential in constraining anthropogenic emissions. Our four inversion experiments consistently showed that the Chinese anthropogenic emissions of NMVOC precursors of glyoxal were larger than the a priori estimates. Our top-down estimates for Chinese annual emission of anthropogenic aromatics (benzene, toluene, and xylene) ranged from 5.5 to 7.9<span class='thinspace'></span>Tg<span class='thinspace'></span>yr<span class='inline-formula'>⁻¹</span>, 2<span class='thinspace'></span>% to 46<span class='thinspace'></span>% larger than the estimate of the a priori emission inventory (5.4<span class='thinspace'></span>Tg<span class='thinspace'></span>yr<span class='inline-formula'>⁻¹)</span>. Three out of our four inversion experiments indicated that the seasonal variation in Chinese NMVOC emissions was significantly stronger than indicated in the a priori inventory. Model simulations driven by the average of our top-down NMVOC emission estimates (which had a stronger seasonal variation than the a priori) showed that surface afternoon ozone concentrations over eastern China increased by 1-8<span class='thinspace'></span>ppb in June and decreased by 1-10<span class='thinspace'></span>ppb in December relative to the simulations using the a priori emissions and were in better agreement with measurements. We concluded that the satellite observations of formaldehyde and glyoxal together provided quantitative constraints on the emissions and source types of NMVOCs over China and improved our understanding on regional chemistry.</p> </P>

Adjoint Inversion of Global NO<SUB>x</SUB> Emissions with SCIAMACHY NO₂

Changsub Shim,Qinbin Li,Daven Henze,Randall Marlin 한국대기환경학회 2009 한국대기환경학회 학술대회논문집 Vol.2009 No.5월

Atmospheric nitrogen oxide radicals (NO<SUB>x</SUB>) play a critical role in tropospheric O₃ productions(Penner et al., 1991), implying its contribution to air quality and climate change. Bottom-up NO<SUB>x</SUB> emission inventories are based on sparsely measured emission parameters, which has spatiotemporal limitation. Recently, it has been recently reported that fossil fuel NO<SUB>x</SUB> emissions have been decreased in North America and Europe while those have been rapidly increased in developing countries(Jaegle et al., 2005; Ritcher et al., 2005; Martin et al., 2006). Here we explore the use of satellite observations to constrain the global NO<SUB>x</SUB> emissions. The GEOS-Chem model and its adjoint are applied for global inversions of SCIAMACHY NO₂ columns for November 2005. The adjoint method is used for 3-D dynamics, emissions, deposition, and gas/aerosol chemistry of the model. The targeted state vector contributing to tropospheric NO₂ column includes NO<SUB>x</SUB> emissions from fossil fuel combustions, biomass burning, biofuel burning, soil, and lightning. We present here the results from a global adjoint of NO<SUB>x</SUB> inversion. The model overestimation over Eastern US and central Europe are improved by reducing significant a posteriori fossil fuel emissions(23~40%). The a posteriori biomass burning NO<SUB>x</SUB> emissions are generally less than a priori and show good agreement with recent updates in biomass burning inventory(GFEDV2). The a posteriori biofuel burning NO<SUB>x</SUB> contributions are lower over Eastern Europe but higher over eastern Asia. Our inversion results can evaluate the current emissions inventories and help better prediction of global/regional air quality and climate changes.

8. CA-저장이 Broccali(Brassica Oleracea Var. italica)의 Chlorophyll과 Carotenoid 함량 변화에 미치는 영향

양용준(Yang Yong-Joon),J. Henze 한국원예학회 1988 한국원예학회 학술발표요지 Vol.6 No.2

Long-term cloud condensation nuclei number concentration, particle number size distribution and chemical composition measurements at regionally representative observatories

Schmale, Julia,Henning, Silvia,Decesari, Stefano,Henzing, Bas,Keskinen, Helmi,Sellegri, Karine,Ovadnevaite, Jurgita,Pö,hlker, Mira L.,Brito, Joel,Bougiatioti, Aikaterini,Kristensson, Adam,Kaliviti Copernicus GmbH 2018 Atmospheric Chemistry and Physics Vol.18 No.4

<P><p><strong>Abstract.</strong> Aerosol-cloud interactions (ACI) constitute the single largest uncertainty in anthropogenic radiative forcing. To reduce the uncertainties and gain more confidence in the simulation of ACI, models need to be evaluated against observations, in particular against measurements of cloud condensation nuclei (CCN). Here we present a data set - ready to be used for model validation - of long-term observations of CCN number concentrations, particle number size distributions and chemical composition from 12 sites on 3 continents. Studied environments include coastal background, rural background, alpine sites, remote forests and an urban surrounding. Expectedly, CCN characteristics are highly variable across site categories. However, they also vary within them, most strongly in the coastal background group, where CCN number concentrations can vary by up to a factor of 30 within one season. In terms of particle activation behaviour, most continental stations exhibit very similar activation ratios (relative to particles<span class='thinspace'></span><span class='inline-formula'>&gt;</span><span class='thinspace'></span>20<span class='thinspace'></span>nm) across the range of 0.1 to 1.0<span class='thinspace'></span>% supersaturation. At the coastal sites the transition from particles being CCN inactive to becoming CCN active occurs over a wider range of the supersaturation spectrum.</p> <p>Several stations show strong seasonal cycles of CCN number concentrations and particle number size distributions, e.g. at Barrow (Arctic haze in spring), at the alpine stations (stronger influence of polluted boundary layer air masses in summer), the rain forest (wet and dry season) or Finokalia (wildfire influence in autumn). The rural background and urban sites exhibit relatively little variability throughout the year, while short-term variability can be high especially at the urban site.</p> <p>The average hygroscopicity parameter, <span class='inline-formula'><i>κ</i></span>, calculated from the chemical composition of submicron particles was highest at the coastal site of Mace Head (0.6) and lowest at the rain forest station ATTO (0.2-0.3). We performed closure studies based on <span class='inline-formula'><i>κ</i></span>-Köhler theory to predict CCN number concentrations. The ratio of predicted to measured CCN concentrations is between 0.87 and 1.4 for five different types of <span class='inline-formula'><i>κ</i></span>. The temporal variability is also well captured, with Pearson correlation coefficients exceeding 0.87.</p> <p>Information on CCN number concentrations at many locations is important to better characterise ACI and their radiative forcing. But long-term comprehensive aerosol particle characterisations are labour intensive and costly. Hence, we recommend operating “migrating-CCNCs” to conduct collocated CCN number concentration and particle number size distribution measurements at individual locations throughout one year at least to derive a seasonally resolved hygroscopicity parameter. This way, CCN number concentrations can only be calculated based on continued particle number size distribution information and greater spatial coverage of long-term measurements can be achieved.</p> </P>