2,312 research outputs found
ã·ãªã³ã³ç³»ããã€ã¹ã«ããããã©ãºãããã»ã¹èªèµ·æ¬ é¥çæã«é¢ããç 究
京éœå€§åŠæ°å¶ã»èª²çšå士å士(å·¥åŠ)ç²ç¬¬24580å·å·¥å第5086å·æ°å¶||å·¥||1974(éå±å³æžé€š)京éœå€§åŠå€§åŠé¢å·¥åŠç 究ç§èªç©ºå®å®å·¥åŠå°æ»(äž»æ»)ææ æ±å©å£ 浩äº, ææ åå± æºç±, ææ å¹³æ¹ å¯ä¹åŠäœèŠå第4æ¡ç¬¬1é
該åœDoctor of Philosophy (Engineering)Kyoto UniversityDFA
Recovery of the procedure of combined handling of elucidation methods for interpretable structure elucidation for decreasing frequencies of organic structure revision
Maybe more than one hundred papers on revision of organic structure appear every year. Most of them derive from unreasonable neglect of correct structures because of picking-up/angling methodology. Antithetically, the present paper recommends scooping-up/netting one as a proper systematic procedure in order to avoid such careless and unreasonable neglect as much as possible by indicating existence of informational homologues, which are answers matching with provided pieces of structure information. This was invented by a Japanese company JEOL for its commercial computer program for automated organic structure elucidation, Combined Handling of Elucidation Methods for Interpretable Chemical Structures (CHEMICS). But the basic policy of CHEMICS has been changed to kinds of picking-up methods by people who carried away the name without understanding importance of the policy. In order to aim to recover scooping-up methodology, the present paper shows four examples of our analysis, exemplifying neglected informational homologues, and demonstrating that scooping-up methodology is better.ããææ©ååç©ã®æ§é 決å®ã®èª€ããä¿®æ£ããè«æã®æ°ã¯å¹Žéãããã100件ãè¶ããããã¯æ§é ããŒã¿ã®è§£æã®èª€ãã«ããããã¯ãã€ãæ³ïŒæŸãäžãæ³ïŒæé æ¡çšã«ããæ£ããæ§é ã®äžåœãªç¡èŠã«ãããã€ãæ³æé ã¯èŠèœãšããããããã®ã§åå¿è
ã䜿ãã¹ãã§ã¯ãªãããã®ãããªæ£è§£ã®äžåœãªç¡èŠãã§ããã ãæžããããã«æšæºçãã€ç³»çµ±çæé ãšããŠæ¬è«æã§ã¯ãã¿æ³ïŒå²ã蟌ã¿ã¯æ³ïŒæé ã匷ãæšå¥šããããã®æ¹æ³ã¯ããšããšæ¥æ¬é»åæ ªåŒäŒç€ŸïŒJEOLïŒãèªåæ§é 解æã·ã¹ãã ãåååCombined Handling of Elucidation Methods forInterpretable Chemical Structures ïŒç¥ç§°CHEMICSïŒïŒè§£æå¯èœãªååŠæ§é ã®ããã®è€æ°ã®æ§é 解ææ³ã®çµã¿åãã䜿çšïŒã®ããã«æåã«èãã ãããã®ã§ãããåã€ã®äºäŸã§ãã®æé ãããããŠæçšã§ããããšã蚌æããïŒå®éã®æç®ããæŸãåºããæ§é 決å®ã®çµæã¯èª€ãŸã£ãŠããŠçã®æ£è§£ãèŠèœãšããŠããå¯èœæ§ãããããšãæ瀺ããçã®æ£è§£ã®åè£ãæ瀺ãããïŒãã泚ïŒAppendix ã¯ãJEOL ã®CHEMICS ã®æŠå¿µãšååããã®åºæ¬æ¹éãç解ã§ããªãã£ã人ãã¡ã«ãã£ãŠä»ã®æ©é¢ã«æã¡åºããããã®æ¹éãæªæ²ãããŠã€ãæ³ã«åããŠããéçšããå
¬è¡šãããæç®ã§è¿œã£ãŠãããããã§æ¬è«æã§ã¯ãã¿æ³ã®åŸ©æŽ»ãè©Šã¿ãŠãã
Design of the NIPR trajectory model
Kinematic and isentropic trajectory models developed at the National Institute of Polar Research(NIPR) are compared with METEX developed at the Center for Global Environmental Research, National Institute for Environmental Studies(CGER/NIES). The NIPR model shows good agreement with METEX both in the kinematic and isentropic trajectories. An intercomparison between the tra-jectories computed with different datasets is also performed using the NIPR model, and shows that the accuracy of the trajectory is far more sensitive to the difference of the dataset used than to the difference of trajectory model
Recommended from our members
Causality in quantum physics, the ensemble of beginnings of time, and the dispersion relations of wave function
textPhysic
Genomic DNA sequences of non GT-AG introons in human mRNA genes
We searched human genome DNA sequences in the DDBJ/GenBank/EMBL for introns of mRNA genes which do not conform to the GT-AG rule, and collected 5791 fragments which do not form exon parts. Of these 159 are not of GT-AG form. Then we eliminated 19 because of non introns that were yielded by clerical error, frameshift, edition policy, and so on. Major part (94) of the 140 remaining sequences can be considered also to be GT-AG forms with alternative interpretation. There are several mRNAs carrying more than one intron where not GT-AG forms but non-GT-AG ones are chosen. This suggests easy usage of easy selection, even when there is more than one candidate, by easy computer software to infer an intron sequence as the logical difference between a gene and its corresponding cDNA
/ïŒïŒ²æè¡ãçšããæŽå²èŠ³å ã®ïŒ©ïŒŽæŽ»çšã«é¢ããç 究
芳å
ã®æ°ãã圢ãæ±ããããŠããïŒããåœã®çµæžãæ¯ãã倧ããªç£æ¥ã®äžã€ãšããŠïŒèŠ³å
æ¥ã«å€§ããªæåŸ
ãéãŸã£ãŠããïŒèŠ³å
å°ã®é
åãé«ããããã«ïŒèŠ³å
è³æºãæ±ããåå°ã®èªæ²»äœã§ã¯æ§ã
ãªæš¡çŽ¢ãç¶ããŠããïŒèŠ³å
ã®IT 掻çšã¯ãã®ç®çãšãªã£ãŠããïŒã€ã³ã¿ãŒããããå©çšãã芳å
æ¡å
ã¯åºãæ®åãïŒãã§ã«å€ãã®æ
è¡è
ã䜿çšãã瀟äŒã€ã³ãã©ãšãªã£ãŠããïŒå·®å¥åã®ããã«æ°ããæè¡ãç©æ¥µçã«è©ŠãŸããŠããïŒããŒãã£ã«ãªã¢ãªãã£(VR)ãããã¯ã¹ããªã¢ãªãã£(MR)ã¯ãã®äžã€ã§ããïŒèŠ³å
ã®å¿çåŠçåæã«ããã°ïŒèŠ³å
ãåæ©ã¥ãã»åŠç¿ã»èšªåã»æåã»å蚪ã®ãµã€ã¯ã«ã§æãç«ã€ãšãããŠããïŒå段éãIT 掻çšã«ãã£ãŠé
åçã«ããããšããææ¡ããªãããŠããïŒã¹ããŒãããŒãªãºã æ§æ³ãšããŠç¥ãããŠããïŒãšãã«èšªåå
ã®çŸå°ã®é
åãããããäŒããŠæåãæ·±ããããã®æ段ã課é¡ãšãªã£ãŠããïŒæå財ãããžã¿ã«ããŒã¿åããæè¡ã¯ããžã¿ã«ã¢ãŒã«ã€ãã³ã°ãšåŒã°ãïŒVR/MR æè¡ãçšããŠããžã¿ã«åãããæå財ãéè³ããè©Šã¿ããªãããŠããïŒæåæ·±åã®ããã«èŠ³å
ãžã®èåãæšæŠãããŠããïŒæ¬ç 究ã§ã¯ïŒVR/MR ã䜿ã£ãããžã¿ã«ã¢ãŒã«ã€ãã®å±ç€ºã®èŠ³å
å¿çšãè©Šã¿ïŒå®çšåãžåããææ¡ãè¡ãïŒå€ä»£é£é³¥äº¬ããã£ãå¥è¯çé«åžé¡ææ¥éŠæã«ãããŠïŒé£é³¥æ代ãé¡æã«ããŠåŸæã®å»ºç©ãè¡äžŠã¿ãCG ãçšããŠä»®æ³åŸ©å
ããVR ã³ã³ãã³ããå¶äœãçšæããïŒéºè·¡ãååšãããšãããå Žæã«ãããŠVR ã³ã³ãã³ããéè³ã§ããããã«ïŒå±å€ã§äœ¿çšã§ããæŽå²äœéšç«¯æ«ãéçºãå®èšŒå®éšãè¡ã£ãïŒãšãã«èŠ³å
å¿çšã«ããã課é¡ã®äžã€ã移åã«ãããšèŠå®ããŠïŒç§»åäžã«VR/MR ã³ã³ãã³ãã楜ããããšã®ã§ããéçšãè©Šã¿ãïŒVR/MR ã®èŠ³å
å¿çšã¯å®äŸãå°ãªãããïŒå€§å°ããŸããŸãªèª²é¡ãæ®ãããŠããïŒããã§æ¬¡ã®2 ã€ã®åœ¢åŒã®éçšãè©Šã¿ãïŒã»ã¬ã€ããã¢ãŒã®ãµããŒãããŒã«ãšããŠã¢ãã€ã«åVR/MR è£
眮ãçšããéçšã»å€äººæ°ãåæã«ç§»åããªããäœéšã§ããMR ã¢ããªãã£ã·ã¹ãã ãšããŠã®éçšèŠ³å
ã€ãã³ããšããŠäžè¬ã®èšªå客ããåå è
ãåãïŒäœéšçµäºåŸã«ã¢ã³ã±ãŒã調æ»ã®ååããé¡ããïŒèŠ³å
å¿çšã®å¯èœæ§ã調æ»ããïŒãã®çµæïŒVR/MR ã®èŠ³å
å¿çšã®æçšæ§ãšèª²é¡ã確èªã§ããïŒVR/MR ã芳å
ã«å°å
¥ãã倧ããªç®çã¯èŠ³å
å°ã®é
åãæ·±ããŠèŠ³å
客ã«çŸå°ã«è¶³ãéãã§ãããããšã§ããïŒæŽå²èŠ³å
äœéšã®æåã®æ·±åãVR/MRæè¡ã§å®çŸããããã®èª²é¡ãšèŠä»¶ãæ€èšããŠããïŒVR/MR ã®èŠ³å
å¿çšã«é¢ãã課é¡ã¯ïŒéçšé¢ã«ããã課é¡ããã³æè¡é¢ã«ããã課é¡ã®2 ã€ã®åŽé¢ãããïŒéçšé¢ã«ããã課é¡ã¯ïŒç°å¢ãå£ããªãå°å
¥æ¹æ³ïŒåŸæ¥ã®ãµãŒãã¹ãå£ããªãå°å
¥æ¹æ³ïŒçŸå°ã«ãããéçšïŒã³ãã¥ãã±ãŒã·ã§ã³ã®ä¿é²ïŒç§»åã®æå¹æŽ»çšãéèŠã§ãããšèãïŒ2 ã€ã®è©Šè¡ã®çµæãåºã«è§£æ±ºæ¹æ³ã®æ€èšããããªã£ãïŒã¬ã€ããã¢ãŒã®ãµããŒãããŒã«ãšããŠã¢ãã€ã«åVR/MR è£
眮ãçšããéçšã§ã¯ïŒç¹ã«éçšè
ãçŸå°ã®ãã©ã³ãã£ã¢ã¬ã€ãã§ããããšã«çæããŠïŒã·ã¹ãã ãåãå
¥ããŠããããããããã«è¿ããããã䜿ããããããã«ããããšã«é
æ
®ããïŒæè¡åªå
ãšããã«ïŒåŸæ¥ã®èŠ³å
ãµãŒãã¹ãåŸæŒãããããã«VR/MR ã·ã¹ãã ãå°å
¥ããããšãéèŠã§ãããšèããïŒæè¡é¢ã§ã®èª²é¡ã¯ïŒçŸæç¹ã§ã¯ç¹ã«é³ã«ããèšå Žæã®åäžïŒVR/MR ç¹æã®ã³ã³ãã³ãç·šéã³ã¹ãã®åæžææ³ãéèŠã§ãããšèããïŒMR ã¢ããªãã£ã·ã¹ãã ãçšããéçšã«ãããŠïŒç§»åã«äŒŽãå Žé¢ã転æããŠãããããªã¹ããŒãªãŒä»ç«ãŠã®æŒåºãè¡ãããšã§ãšã³ã¿ãŒãã€ã¡ã³ãæ§ã®åäžãæåŸ
ã§ããïŒèŠ³å
ã«ãããŠãšã³ã¿ãŒãã€ã¡ã³ãæ§ã¯éèŠãªèŠä»¶ã®äžã€ã§ããïŒç§»åäžã®ãŠãŒã¶ãŒã®äœçœ®ã»å§¿å¢ã«äŒŽã£ãŠïŒæ åãšãšãã«é³ã空éãæã£ãè¡šçŸã«ãããšèšå Žæãåäžã§ããïŒãŸãïŒæ åã360 床任æã®æ¹åã«çºããèªç±ãäžããããŠããå€ãã®MRã·ã¹ãã ã®ããã«ãŠãŒã¶ãŒã®è¡åã®èªç±ã®å¹
ãåºããããšïŒã³ã³ãã³ãå¶äœè
ã®æå³ãšã¯åããã«äœéšè
ãèŠç·ãéã£ãŠããªãæ¹åã§æŒåºãããŠããã€ãã³ãã«æ°ãä»ããªããšããåé¡ãããïŒæŒåºã«ã€ããŠãïŒé³å£°ã«ããæ°é
ãæããããããšã«ãã£ãŠïŒãŠãŒã¶ãŒã®èŠç·æ¹åãæã«èªå°ããããšãã§ãïŒãã®å¹
ãåºããããšãã§ããïŒVR/MR ã®ã³ã³ãã³ãå¶äœã¯ïŒéåžžã®CG ãã¢ãã¡ãŒã·ã§ã³ã³ã³ãã³ãã®å¶äœãšç°ãªãïŒå®éã«ååšããäºç©ã®åŸ©å
ãããããããããªèšé²ãçŸåããäºç©ã®æ
å ±ãåºã«ããŠïŒæ倧éå²å®ã«è¿ã圢ã§ä»®æ³åŸ©å
ããå¿
èŠãããç¹ã«é£ãããããïŒç¹ã«æ¥æ¬ã®å€ä»£å»ºé ç©ã¯å€ããæšé ã§ããïŒçœå®³çã§å€±ããçŸåããŠããªãããšãå€ãïŒããããªããïŒç€ç³ãç³æ·ããªã©ç³ã§ã§ããæ§é ç©ã®äžéšã¯æ®ãããŠããå²è·¡ãå€ãïŒããã§ïŒçŸåããç³æ·ãã®æ
å ±ãåºã«ããŠç°¡åãªæäœã«ãã£ãŠèªç¶ã«ç³æ·ãã®ç·šéãã§ããææ³ãéçºããïŒãã®ããã«ããžã¿ã«ã¢ãŒã«ã€ãã®æ
å ±ã®æ¬ èœéšåã容æã«èªç¶ã«åŸ©å
ããããã®ç·šéææ³ã¯ä»åŸéèŠã«ãªã£ãŠããã ããïŒé»æ°é信倧åŠ201
Theoretical study on the ionization of aniline in aqueous solutions
The ionization and excitation processes of aniline in aqueous solutions are investigated by the method of RISM-SCF-SEDD (reference interaction site model self-consistent field with the spatial electron density distribution). Four different models are employed to characterize the response of the solvation upon the ionization and excitation. A simple treatment for estimation of the spectral width is also proposed
- âŠ