{"title":"Decision letter for \"A breakthrough from 60 years ago: “General nature of the genetic code for proteins” (1961)\"","authors":"Matthew Cobb","doi":"10.1002/NTLS.10018","DOIUrl":"https://doi.org/10.1002/NTLS.10018","url":null,"abstract":"","PeriodicalId":74244,"journal":{"name":"Natural sciences (Weinheim, Germany)","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2021-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"80366417","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Disclosed: quasiparticle properties and dynamics in real and momentum spaceUrsula Wurstbauer
公开:实空间和动量空间中的准粒子性质和动力学
{"title":"Disclosed: quasiparticle properties and dynamics in real and momentum space","authors":"U. Wurstbauer","doi":"10.1002/NTLS.10017","DOIUrl":"https://doi.org/10.1002/NTLS.10017","url":null,"abstract":"Disclosed: quasiparticle properties and dynamics in real and momentum spaceUrsula Wurstbauer","PeriodicalId":74244,"journal":{"name":"Natural sciences (Weinheim, Germany)","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2021-05-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"79008459","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Light pollution modelling and monitoring has traditionally used zenith sky brightness as its main indicator. Several other indicators (e.g. average sky radiance, horizontal irradiance, average sky radiance at given interval of zenith distances) may be more useful, both for general and for specific purposes of ecology studies, night sky and environmental monitoring. These indicators can be calculated after the whole sky radiance is known with sufficient angular detail. This means, for each site, to integrate the contribution in each direction of the sky of each light source in the radius of hundreds of km. This approach is extremely high time consuming if the mapping is desired for a large territory. Here we present a way to obtain maps of large territories for a large subset of useful indicators, bypassing the need to calculate first the radiance map of the whole sky in each site to obtain from it the desired indicator in that site. For each indicator, a point spread function (PSF) is calculated from the whole sky radiance maps generated by a single source at sufficiently dense number of distances from the observing site. If the PSF is transversally shift-invariant, i.e. if it depends only on the relative position of source and observer, then we can further speed up the map calculation via the use of fast Fourier-transform (FFT). We present here examples of maps for different indicators. Precise results can be calculated for any single site, taking into account the site and light sources altitudes, by means of specific inhomogeneous (spatially-variant) and anisotropic (non rotationally symmetric) PSFs.
{"title":"Computing light pollution indicators for environmental assessment","authors":"F. Falchi, S. Bará","doi":"10.1002/NTLS.10019","DOIUrl":"https://doi.org/10.1002/NTLS.10019","url":null,"abstract":"Light pollution modelling and monitoring has traditionally used zenith\u0000sky brightness as its main indicator. Several other indicators (e.g.\u0000average sky radiance, horizontal irradiance, average sky radiance at\u0000given interval of zenith distances) may be more useful, both for general\u0000and for specific purposes of ecology studies, night sky and\u0000environmental monitoring. These indicators can be calculated after the\u0000whole sky radiance is known with sufficient angular detail. This means,\u0000for each site, to integrate the contribution in each direction of the\u0000sky of each light source in the radius of hundreds of km. This approach\u0000is extremely high time consuming if the mapping is desired for a large\u0000territory. Here we present a way to obtain maps of large territories for\u0000a large subset of useful indicators, bypassing the need to calculate\u0000first the radiance map of the whole sky in each site to obtain from it\u0000the desired indicator in that site. For each indicator, a point spread\u0000function (PSF) is calculated from the whole sky radiance maps generated\u0000by a single source at sufficiently dense number of distances from the\u0000observing site. If the PSF is transversally shift-invariant, i.e. if it\u0000depends only on the relative position of source and observer, then we\u0000can further speed up the map calculation via the use of fast\u0000Fourier-transform (FFT). We present here examples of maps for different\u0000indicators. Precise results can be calculated for any single site,\u0000taking into account the site and light sources altitudes, by means of\u0000specific inhomogeneous (spatially-variant) and anisotropic (non\u0000rotationally symmetric) PSFs.","PeriodicalId":74244,"journal":{"name":"Natural sciences (Weinheim, Germany)","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2021-04-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"79610251","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
K. H. L. Po, H. Chow, Qipeng Cheng, Bill Kwan-wai Chan, Xin Deng, Shuping Wang, E. Chan, H. Kong, Kin-Fai Chan, Xuechen Li, Sheng Chen
{"title":"Daptomycin exerts bactericidal effect through induction of excessive ROS production and blocking the function of stress response protein Usp2","authors":"K. H. L. Po, H. Chow, Qipeng Cheng, Bill Kwan-wai Chan, Xin Deng, Shuping Wang, E. Chan, H. Kong, Kin-Fai Chan, Xuechen Li, Sheng Chen","doi":"10.1002/ntls.10023","DOIUrl":"https://doi.org/10.1002/ntls.10023","url":null,"abstract":"","PeriodicalId":74244,"journal":{"name":"Natural sciences (Weinheim, Germany)","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2021-03-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1002/ntls.10023","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"72445255","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Tomohisa Sawada, Wataru Iwasaki, Motoya Yamagami, M. Fujita
Funding information JSPSGrants-in-Aid for SpeciallyPromotedResearch,Grant/AwardNumber: JP19H05461; ScientificResearch (B), Grant/AwardNumber: JP19H02697; JST PRESTO,Grant/AwardNumber: JPMJPR20A7 Abstract: Short peptideswith sequences of alternating Land D-residues are known to form antiparallel double β-helical structures, but their equilibrium structures have not been characterized in detail. Here, we use metal coordination of a simple octapeptide, -(L-Val-D-Val)4-, modified with two coordinating side chains at the (i, j)-th residues to uncover these elusive structures. When (i, j) = (3, 5), complexation with ZnI2 induces a parallel double β-helix, which is not commonly seen. In contrast, when (i, j) = (5, 7), a commonly occurring antiparallel double β-helix (Type I) is formed. Interestingly, complexation of the peptide with (i, j) = (3, 7) gives another antiparallel double β-helix, the unknown Type II structure, which has an inverted orientation of the two strands. Complexation of a monotopic peptide (i = 3) with trans-PdCl2 yields a Pd(II)-linked dimeric bundleof twoantiparallelβ-helices. These results demonstrate thatmetal coordination can induce even as-yet unrecognized structures in the folding and assembly pathways of short peptides.
{"title":"Parallel and antiparallel peptide double β‐helices controlled by metal‐induced folding and assembly","authors":"Tomohisa Sawada, Wataru Iwasaki, Motoya Yamagami, M. Fujita","doi":"10.1002/NTLS.10008","DOIUrl":"https://doi.org/10.1002/NTLS.10008","url":null,"abstract":"Funding information JSPSGrants-in-Aid for SpeciallyPromotedResearch,Grant/AwardNumber: JP19H05461; ScientificResearch (B), Grant/AwardNumber: JP19H02697; JST PRESTO,Grant/AwardNumber: JPMJPR20A7 Abstract: Short peptideswith sequences of alternating Land D-residues are known to form antiparallel double β-helical structures, but their equilibrium structures have not been characterized in detail. Here, we use metal coordination of a simple octapeptide, -(L-Val-D-Val)4-, modified with two coordinating side chains at the (i, j)-th residues to uncover these elusive structures. When (i, j) = (3, 5), complexation with ZnI2 induces a parallel double β-helix, which is not commonly seen. In contrast, when (i, j) = (5, 7), a commonly occurring antiparallel double β-helix (Type I) is formed. Interestingly, complexation of the peptide with (i, j) = (3, 7) gives another antiparallel double β-helix, the unknown Type II structure, which has an inverted orientation of the two strands. Complexation of a monotopic peptide (i = 3) with trans-PdCl2 yields a Pd(II)-linked dimeric bundleof twoantiparallelβ-helices. These results demonstrate thatmetal coordination can induce even as-yet unrecognized structures in the folding and assembly pathways of short peptides.","PeriodicalId":74244,"journal":{"name":"Natural sciences (Weinheim, Germany)","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2021-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"86498969","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
: The field of gas-phase chemical dynamics has developed superb experimental methods to probe the detailed outcome of gas-phase chemical reactions. These experiments inspired and benchmarked first principles dynamics simulations giving access to an atomic scale picture of the motions that underlie these reactions. This fruitful interplay of experiment and theory is the essence of a dynamical approach per-fectedongas-phasereactions,theculminationofwhichisastandardmodelofchemical reactivity involving classical trajectories or quantum wave packets moving on a Born– Oppenheimer potential energy surface. Extending the dynamical approach to chemical reactions at surfaces presents challenges of complexity not found in gas-phase study as reactive processes often involve multiple steps, such as inelastic molecule-surface scattering and dissipation, leading to adsorption and subsequent thermal desorption and or bond breaking and making. This paper reviews progress toward understanding the elementary processes involved in surface chemistry using the dynamical approach.
{"title":"Chemical dynamics from the gas‐phase to surfaces","authors":"D. Auerbach, J. Tully, A. Wodtke","doi":"10.1002/NTLS.10005","DOIUrl":"https://doi.org/10.1002/NTLS.10005","url":null,"abstract":": The field of gas-phase chemical dynamics has developed superb experimental methods to probe the detailed outcome of gas-phase chemical reactions. These experiments inspired and benchmarked first principles dynamics simulations giving access to an atomic scale picture of the motions that underlie these reactions. This fruitful interplay of experiment and theory is the essence of a dynamical approach per-fectedongas-phasereactions,theculminationofwhichisastandardmodelofchemical reactivity involving classical trajectories or quantum wave packets moving on a Born– Oppenheimer potential energy surface. Extending the dynamical approach to chemical reactions at surfaces presents challenges of complexity not found in gas-phase study as reactive processes often involve multiple steps, such as inelastic molecule-surface scattering and dissipation, leading to adsorption and subsequent thermal desorption and or bond breaking and making. This paper reviews progress toward understanding the elementary processes involved in surface chemistry using the dynamical approach.","PeriodicalId":74244,"journal":{"name":"Natural sciences (Weinheim, Germany)","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2021-01-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"73923331","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
S. Dong, M. Puppin, T. Pincelli, S. Beaulieu, D. Christiansen, H. Hübener, C. Nicholson, R. Xian, M. Dendzik, Yunpei Deng, Y. W. Windsor, M. Selig, E. Malic, Á. Rubio, A. Knorr, M. Wolf, L. Rettig, R. Ernstorfer
1 Fritz-Haber-Institut derMax-Planck-Gesellschaft, Berlin, Germany 2 Laboratoire de Spectroscopie Ultrarapide and Lausanne Centre for Ultrafast Science (LACUS), École polytechnique fédérale de Lausanne, ISIC, Lausanne, Switzerland 3 Institut für Theoretische Physik, Nichtlineare Optik undQuantenelektronik, Technische Universität Berlin, Berlin, Germany 4 Max Planck Institute for the Structure andDynamics ofMatter and Center for Free Electron Laser Science, Hamburg, Germany 5 Département de Physique and Fribourg Center for Nanomaterials, Université de Fribourg, Fribourg, Switzerland 6 Department of Applied Physics, KTHRoyal Institute of Technology, Stockholm, Sweden 7 SwissFEL, Paul Scherrer Institute, Villigen, Switzerland 8 Department of Physics, Chalmers University of Technology, Gothenburg, Sweden
1 fritz - haber - Max-Planck- gesellschaft研究所，德国柏林2光谱超快实验室和洛桑超快科学中心(LACUS)， École瑞士洛桑ISIC洛桑综合技术学院3理论物理研究所，Nichtlineare光学和量子电子技术研究所，Universität德国柏林4马克斯普朗克物质结构与动力学研究所和自由电子激光科学中心，汉堡，德国德国5弗里堡大学物理与弗里堡纳米材料研究中心，弗里堡，瑞士6瑞典斯德哥尔摩皇家理工学院应用物理系，瑞典7瑞士自由电子实验室，Paul Scherrer研究所，瑞士维利根，瑞士8查尔姆斯理工大学物理系，瑞典哥德堡
{"title":"Review for \"Direct measurement of key exciton properties: Energy, dynamics, and spatial distribution of the wave function\"","authors":"S. Dong, M. Puppin, T. Pincelli, S. Beaulieu, D. Christiansen, H. Hübener, C. Nicholson, R. Xian, M. Dendzik, Yunpei Deng, Y. W. Windsor, M. Selig, E. Malic, Á. Rubio, A. Knorr, M. Wolf, L. Rettig, R. Ernstorfer","doi":"10.1002/ntls.10010","DOIUrl":"https://doi.org/10.1002/ntls.10010","url":null,"abstract":"1 Fritz-Haber-Institut derMax-Planck-Gesellschaft, Berlin, Germany 2 Laboratoire de Spectroscopie Ultrarapide and Lausanne Centre for Ultrafast Science (LACUS), École polytechnique fédérale de Lausanne, ISIC, Lausanne, Switzerland 3 Institut für Theoretische Physik, Nichtlineare Optik undQuantenelektronik, Technische Universität Berlin, Berlin, Germany 4 Max Planck Institute for the Structure andDynamics ofMatter and Center for Free Electron Laser Science, Hamburg, Germany 5 Département de Physique and Fribourg Center for Nanomaterials, Université de Fribourg, Fribourg, Switzerland 6 Department of Applied Physics, KTHRoyal Institute of Technology, Stockholm, Sweden 7 SwissFEL, Paul Scherrer Institute, Villigen, Switzerland 8 Department of Physics, Chalmers University of Technology, Gothenburg, Sweden","PeriodicalId":74244,"journal":{"name":"Natural sciences (Weinheim, Germany)","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2020-12-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"89692835","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Xia Zhang, T. Karman, G. Groenenboom, A. van der Avoird
Funding information ChinaScholarshipCouncil,NationalNatural ScienceFoundationofChina,Grant/Award Number: 11604118;ChinaPostdoctoral ScienceFoundation,Grant/AwardNumber: 2015M581390 Abstract Almost ninety years have passed since the experiments of Farkas and Sachsse [Z. Phys. Chem. B 1933; 23:1] on para-ortho hydrogen conversion catalyzed by paramagnetic species such as O2, but a detailed and quantitative understanding of the conversion process and its temperature dependencewas still lacking. Here, we present a complete and quantitative theoretical treatment of this catalytic process. Both interactions causing the conversion are included: the magnetic dipole-dipole coupling between the electron spin of O2 and the nuclear spins in H2 and the Fermi contact coupling from spin densities at the H-nuclei induced by O2. The latter were extracted from ab initio electronic structure calculations. State-to-state conversion cross sections and rate coefficients are obtained from quantummechanical coupled-channel calculations including the full anisotropic O2-H2 interaction potential and by treating both the spin-dependent couplings perturbatively. The total rate coefficient agrees with the experimental value recently measured by Wagner [Magn. Reson. Mater. Phys., Biol. Med. 2014; 27:195] in O2-H2 gas mixtures and explains the temperature dependence observed in the 1933measurements mentioned above.
{"title":"Para‐ortho hydrogen conversion: Solving a 90‐year old mystery","authors":"Xia Zhang, T. Karman, G. Groenenboom, A. van der Avoird","doi":"10.1002/NTLS.10002","DOIUrl":"https://doi.org/10.1002/NTLS.10002","url":null,"abstract":"Funding information ChinaScholarshipCouncil,NationalNatural ScienceFoundationofChina,Grant/Award Number: 11604118;ChinaPostdoctoral ScienceFoundation,Grant/AwardNumber: 2015M581390 Abstract Almost ninety years have passed since the experiments of Farkas and Sachsse [Z. Phys. Chem. B 1933; 23:1] on para-ortho hydrogen conversion catalyzed by paramagnetic species such as O2, but a detailed and quantitative understanding of the conversion process and its temperature dependencewas still lacking. Here, we present a complete and quantitative theoretical treatment of this catalytic process. Both interactions causing the conversion are included: the magnetic dipole-dipole coupling between the electron spin of O2 and the nuclear spins in H2 and the Fermi contact coupling from spin densities at the H-nuclei induced by O2. The latter were extracted from ab initio electronic structure calculations. State-to-state conversion cross sections and rate coefficients are obtained from quantummechanical coupled-channel calculations including the full anisotropic O2-H2 interaction potential and by treating both the spin-dependent couplings perturbatively. The total rate coefficient agrees with the experimental value recently measured by Wagner [Magn. Reson. Mater. Phys., Biol. Med. 2014; 27:195] in O2-H2 gas mixtures and explains the temperature dependence observed in the 1933measurements mentioned above.","PeriodicalId":74244,"journal":{"name":"Natural sciences (Weinheim, Germany)","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2020-11-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"75727691","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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