Friday, June 29, 2018

halacha - Is Abuse of Drugs Asur and if so what is the Isur?


I'm not referring to drugs that harm the body. I am asking about someone who uses opioid pain killers to feel "high" and as a coping mechanism. The route of administration is not dangerous like needles or smoking.



Answer



In my understanding, Mutar and Asur are not dichotomous values of the Halakha, rather it is a long scale ranging from very bad explicit sins to highest levels of Kiddush Hashem.


Depending on person's spiritual level on this scale, all behaviors are valued as either Isur or Heter, relatively to his level. For example, using opioids for recreation for a Torah scholar would fall under Bitul Torah and be seriously Asur, but for one who use it to stay away from adultery or eases keeping Shabbos, that can turn into not only Mutar but almost a Mitzvah.


My point is, that as smoking (or other use) is not an explicit prohibition, it must be seen relatively to one's spiritual level.


halacha - Is getting a tattoo of the Star of David "ironic"?


Amare Stoudemire, a professional basketball player and practicing Jew, has a Star of David tattoo. In an article at ProBasketballTalk, Kurt Helin calls this tattoo "ironic." But he links to a well-researched article that does not clearly define whether or not Star of David tattoos or tattoos in general are in fact banned in Judaism.


What is the current perception of tattoos in Judaism and does that perception change based on the content of the tattoo?


Is Amare's tattoo indeed ironic?




fft - How to find phase difference between 2 signals, one has an unknown function



I have a system that is forced by a sinusoidal function with specific amplitude, phase and frequency ( all these are known ahead of time). I get a deformation of sinusoidal form as well (think of a damped harmonic response), and I would like to find the phase lag. I was advised to use correlation but I don't have the function that produces the response, only gathered data. This what I am doing but honestly I am not confident in my findings:


    y =[] %this is the gathered data, first column is time, second is deformation
frequency =1000; %Hz,i know this for a fact
t=y(:,1); %just getting the time to produce a sine wave for calibrating

fs = 14*frequency; %this is random, i m just making sure i m above 2*frequency.
Nfft = fs ;

sine_wave = 1+sin(2*pi*frequency*t + pi/2);%I need to 1 + for physical reasons


FFT_sine_wave =fft(sine_wave,Nfft)/Nfft; %FFT of sine_wave
FFT_Y2 =fft(y(:,2),Nfft)/Nfft; %FFT of response

magsine_wave = abs(FFT_sine_wave); %magnitude of sine_wave
magY2 = abs(FFT_Y2); %magnitude of response

f=linspace(-fs/2, fs/2, Nfft); %frequency vector

[old_max_sine_wave index_sine_wave] = max(magsine_wave);
magsine_wave(index_sine_wave) = -Inf; %getting rid of the DC offset


[old_max_Y2 index_Y2] = max(magY2);
magY2(index_Y2) = -Inf;

[maxAmp_sine_wave index_sine_wave] = max(magsine_wave); %Finding new amplitudes
[maxAmp_Y2 index_Y2] = max(magY2);

new_ang = angle(FFT_sine_wave); %getting the angles of sin wave

ang_miew = new_ang(8002)*(180/pi)+180 % 8002 is where f = 1000 Hz falls in frequency

%vector, so i use the index to find angle

amp_miew = 2*abs(FFT_sine_wave(index_sine_wave)) %this gives me the correct amplitude

new_angY2 = angle(FFT_Y2)*(180/pi); %same reasoning as above
ang_miewY2 = new_angY2(8002)+180

Please help me out, if any of you need the y vector that gives the time and deformation please let me know. I am in dire need of help! Thank you in advance




Medical image dataset



I am doing some project on medical image processing and I need some uncompressed medical images especially magnetic resonance angiography, vessel and so on. I have searched a lot but most of the available images are in JPEG format which is not a suitable format due to its lossy compression. Do you know any free dataset which have uncompressed medical images especially those mentioned?



Answer



The problem you are most likely having is that you need to search for files in the correct format. DICOM is what you need to look for. A few hits:



  1. One example

  2. A library from a DICOM viewer software producer

  3. A library of images from Siemens


You will also need a DICOM viewer.
Image J is free (non-commercial, no restrictions on use) and can be used under Windows, Mac, and Linux - it does require Java.

There are other viewers available, free as well as commercial. Just search for DICOM viewers.


computational chemistry - Structure that breaks InChI


I am currently testing a piece of software that generates the InChI for a given structure. I also want to test error situations as end users will also deliver the mol files that will be used as input for the software.


I have found this description about what the current version of InChI cannot represent (Technical FAQ section 4.15 at inchi-trust.org)




InChI currently does not support the representation of:



  • Polymers

  • Complex organometallics

  • Markush structures

  • Mixtures

  • Conformers

  • Excited state and spin isomers

  • Non-local stereochemistry/chirality

  • Topological isomers


  • Cluster molecules

  • Polymorphs

  • Unspecific isotopic enrichment

  • Reactions


Also, InChI is not suitable for very large compounds; technically, InChI input may not contain more than 1023 atoms.


Please note that there are IUPAC InChI subcommittee working groups currently addressing some of these matters. Details of these efforts can be found at: http://iupac.org/web/ins/802



Unfortunately I am lacking the chemical background to generate a suitable structure as molfile that meets the described features to produce an error as an InChI cannot be generated for it.



Answer




Okay, let's tackle at least one problem here. Consider the rotation of 1,2-dichloroethane (BP86/cc-pVDZ):
rotation of dichloroethane


These conformational changes can be further rationalised:



  • C and C' are the same conformation, since these are mirror images.

  • The same applies to B and B'.

  • A and C are local minima and can be referred to as conformes in the above given way

  • B and D are transition states - they are not stable.
    If you consider the rotation A to C as a reaction, this state would mark the maximum energy needed for the conversion. I believe with reactions it is meant, that an accurate description of the transition state by InChI is not possible.





For the term non-local chirality I suggest you look at BINAP or BINOL.
structure of BINAP
In this case I have used a slightly abridged version of BINAP for educational purposes, where $\ce{Ph -> Me}$.


R-BINAP S-BINAP


Other wonderful examples of non-local chirality include helicenes, which have helical chirality. Here is one example of a fancy azonia derivative of hexahelicene (parent compound and links). The structure is available at the Cambridge Crystallographic Data Centre (CCDC) Database. I removed the anion and converted it to xyz coordinates which I include in the appendix. Here are the structures, left P-chirality, right M-chirality:
scheme of 8a-azonia[6]helicene
P-8a-azonia[6]heliceneM-8a-azonia[6]helicene


On another account of non/local chirality, there is the planar chirality, as can be seen in trans-Cyclooctene (the bottom two). For further reading I suggest Neuenschwander et.al. "The Conformations of Cyclooctene: Consequences for Epoxidation Chemistry."
Structures of cyclooctene





Markush Structures are a kind of summary structure for certain compound classes. A very simple example would be a monosubstituted biphenyl system, where the upper structure is a representation of all three below. However, it is noteworthy, that each instance of a Markush structure can be well explained by InChI.
biphenyl markush structure
More complicated structures are often used in patents and in other scientific publications, usually specifically referring to a very general procedure or mechanism. I found one on wikipedia commons, that could well represent a million molecules:
markush structure




And another way to break the InChI are clusters. Although the definition is not very specific, the $\ce{[KO{}^{\mathit{t}}Bu]_4}$ tetramer (wikipedia, chemspider) certainly contains one. While the monomer can be described via InChI, the tetra- or Polymer should fail. It was published by Chisholm et.al. in Polyhedron and the *.cif file can be obtained from CCDB. I cleaned it up a little bit and included the *.xyz in the appendix. You can quite nicely see the $\ce{K4}$ tetrahedral cluster in the middle (hydrogens omitted for clarity). molecular structure of the potassium butoxide tetramer




Last but not least, I'd like to cover the matter of complicated organometallic molecules. As such I'd like to introduce the Grubbs' catalysts. Grubbs obtained the Nobel Prize in Chemistry 2005 for his research in conjunction with Yves Chauvin and Richard R. Schrock. One of the key publications was "Ring-opening metathesis polymerization (ROMP) of norbornene by a Group VIII carbene complex in protic media". The crystal structure can also be obtained at CCDC. Another example stems from "Synthesis and Applications of $\ce{RuCl2(=CHR')(PR3)2}$:  The Influence of the Alkylidene Moiety on Metathesis Activity" and is also available via CCDC. This structure can also be found in the appendix. It is generally known as a 1st generation Grubbs catalyst (Hydrogens omitted for clarity).
scheme of Grubbs Imolecular structure of Grubbs I






The following section contains the nuclear coordinates in *.xyz(XMol) file format and angstroms as unit. (If not denoted otherwise, structures are obtained at BP86/cc-pVDZ.)


1,2-dichloroethane A


C        0.000000000      0.000000000      0.000000000
C 0.000000000 0.000000000 1.521307000
Cl 1.723641000 0.000000000 -0.593797000
H -0.486731000 -0.904743000 -0.410753000
H -0.486731000 0.904743000 -0.410753000
Cl -1.723641000 0.000000000 2.115104000

H 0.486731000 -0.904743000 1.932060000
H 0.486731000 0.904743000 1.932060000

1,2-dichloroethane B


C        0.030242000      0.085780000     -0.007620000
C -0.030242000 0.085780000 1.528927000
Cl 1.518312000 -0.758527000 -0.631286000
H -0.837191000 -0.442465000 -0.444148000
H 0.070555000 1.115212000 -0.412109000
Cl -1.518312000 -0.758527000 2.152593000

H 0.837191000 -0.442465000 1.965455000
H -0.070555000 1.115212000 1.933416000

1,2-dichloroethane C


C        0.066377000      0.127741000      0.004558000
C -0.066377000 0.127741000 1.516749000
Cl 1.083384000 -1.241726000 -0.615213000
H -0.919786000 0.050600000 -0.492443000
H 0.568277000 1.063384000 -0.317636000
Cl -1.083384000 -1.241726000 2.136520000

H 0.919786000 0.050600000 2.013750000
H -0.568277000 1.063384000 1.838943000

1,2-dichloroethane D


C        0.164887000      0.141535000     -0.000240000
C -0.164887000 0.141535000 1.521547000
Cl 0.337146000 -1.473219000 -0.795160000
H -0.633932000 0.666019000 -0.558099000
H 1.123149000 0.665665000 -0.177529000
Cl -0.337146000 -1.473219000 2.316468000

H 0.633932000 0.666019000 2.079406000
H -1.123149000 0.665665000 1.698836000

R-BINAP


C       -0.086423000     -0.055821000     -0.031546000
C -0.090885000 -0.047699000 1.480085000
C 1.148913000 -0.158515000 2.237313000
C 1.064686000 -0.139089000 3.676951000
C -0.131097000 -0.014450000 4.357670000
C -1.357362000 0.116010000 3.652970000

C -1.345263000 0.107319000 2.211098000
P 2.768926000 -0.321256000 1.451350000
H 1.988600000 -0.233144000 4.265654000
H -0.135982000 -0.008251000 5.459401000
C -2.590782000 0.269421000 4.370415000
C -2.623021000 0.305506000 1.559779000
C 0.437392000 1.073619000 -0.788457000
C 0.410661000 0.991852000 -2.228054000
C -0.079670000 -0.105834000 -2.908992000
C -0.579162000 -1.233570000 -2.204534000

C -0.579999000 -1.219208000 -0.762676000
P 1.107602000 2.557133000 -0.001640000
H 0.790955000 1.839345000 -2.816335000
H -0.077540000 -0.112552000 -4.010726000
C -1.063317000 -2.378355000 -2.921905000
C -1.047368000 -2.424579000 -0.111239000
C -3.792005000 0.431032000 3.705083000
H -2.558632000 0.263827000 5.471798000
H -4.735477000 0.552772000 4.258523000
C -3.797353000 0.457087000 2.279022000

H -2.662047000 0.340912000 0.466043000
H -4.750761000 0.602046000 1.748556000
C -1.503463000 -3.517255000 -0.830391000
H -1.036094000 -2.475958000 0.982488000
H -1.854657000 -4.415344000 -0.299810000
C -1.523650000 -3.499569000 -2.256520000
H -1.052652000 -2.347534000 -4.023279000
H -1.890198000 -4.377463000 -2.809877000
C 4.061075000 -0.509159000 2.730645000
C 2.844045000 -1.846744000 0.446017000

C 1.585856000 3.772639000 -1.280334000
C -0.173490000 3.383258000 1.008127000
H 0.254332000 4.289560000 1.485098000
H -1.067700000 3.703930000 0.418133000
H -0.532498000 2.717241000 1.815764000
H 1.997887000 4.670081000 -0.777298000
H 2.377005000 3.362349000 -1.938832000
H 0.749130000 4.118465000 -1.941170000
H 5.044249000 -0.601334000 2.227532000
H 4.100503000 0.383637000 3.385840000

H 3.944572000 -1.404262000 3.395364000
H 3.842692000 -1.931312000 -0.030903000
H 2.674387000 -2.779210000 1.039384000
H 2.087489000 -1.826871000 -0.361580000

S-BINAP


C       -1.383946000     -3.448543000     -2.256996000
C -1.065989000 -2.266144000 -2.910129000
C -0.652376000 -1.110469000 -2.179491000
C -0.563545000 -1.177237000 -0.738280000

C -0.899026000 -2.413534000 -0.098700000
C -1.299620000 -3.519323000 -0.838209000
C -0.154302000 -0.008671000 0.004167000
C 0.166467000 1.182512000 -0.673969000
C 0.072046000 1.221328000 -2.098779000
C -0.323252000 0.113168000 -2.831301000
C -0.061735000 -0.093981000 1.507135000
C -1.110430000 0.372113000 2.322674000
C -0.989013000 0.267385000 3.742090000
C 0.132224000 -0.289631000 4.336601000

C 1.210137000 -0.777916000 3.542877000
C 1.113248000 -0.682564000 2.103804000
C 2.206553000 -1.174312000 1.320794000
C 3.329975000 -1.726929000 1.922868000
C 3.419059000 -1.820539000 3.340084000
C 2.377998000 -1.353835000 4.130094000
P -2.590653000 1.186493000 1.502738000
C -3.750658000 -0.293139000 1.402088000
P 0.636241000 2.692004000 0.339668000
C 2.511918000 2.555623000 0.253510000

C -3.385046000 2.079953000 2.947654000
C 0.388676000 4.078351000 -0.898992000
H -1.802841000 0.635802000 4.383638000
H 0.202504000 -0.360978000 5.434128000
H 0.319305000 2.150696000 -2.632672000
H -0.386992000 0.166196000 -3.930250000
H 2.436377000 -1.419019000 5.228476000
H 4.313241000 -2.262708000 3.805535000
H 2.146133000 -1.110484000 0.224695000
H 4.157224000 -2.097887000 1.298347000

H -0.834575000 -2.478936000 0.997042000
H -1.552289000 -4.458551000 -0.322477000
H -1.128190000 -2.199481000 -4.008215000
H -1.700498000 -4.331984000 -2.832408000
H 2.950535000 3.473538000 0.698290000
H 2.842563000 1.687658000 0.858736000
H 2.884117000 2.439555000 -0.786611000
H 0.678948000 5.023670000 -0.395042000
H 0.990357000 3.982867000 -1.828352000
H -0.686746000 4.150262000 -1.160750000

H -4.302108000 2.573768000 2.564446000
H -3.673500000 1.421270000 3.794842000
H -2.700063000 2.872570000 3.312044000
H -4.742112000 0.063129000 1.051704000
H -3.359638000 -1.014277000 0.656570000
H -3.871382000 -0.807607000 2.379049000

M-8a-azonia[6]helicene (from crystal structure)


N        3.565811000      0.259443000     13.724558000
C 7.445232000 -1.196589000 12.564039000

C 8.629416000 -1.762757000 12.151335000
C 8.885324000 -1.978555000 10.783139000
C 7.914184000 -1.694865000 9.864763000
C 6.665024000 -1.171130000 10.265448000
C 5.584378000 -1.088690000 9.330104000
C 4.339207000 -0.800151000 9.738213000
C 4.088732000 -0.406137000 11.083608000
C 2.763235000 -0.187914000 11.543327000
C 2.522579000 0.029096000 12.830042000
C 3.246403000 0.443720000 15.064121000

C 4.198045000 0.692252000 15.970654000
C 5.531025000 0.961394000 15.546639000
C 6.527506000 1.327523000 16.488699000
C 7.769629000 1.675468000 16.086777000
C 8.044342000 1.864594000 14.697195000
C 9.259232000 2.459858000 14.281133000
C 9.466841000 2.806590000 12.982045000
C 8.445715000 2.608977000 12.035743000
C 7.265466000 1.985829000 12.396483000
C 7.061105000 1.553020000 13.720492000

C 5.833567000 0.912900000 14.172787000
C 4.884651000 0.303088000 13.284635000
C 5.151668000 -0.288539000 12.002691000
C 6.444932000 -0.841371000 11.632053000
H 7.296301000 -1.066868000 13.466331000
H 9.304643000 -2.036748000 12.840647000
H 9.760406000 -2.388329000 10.496986000
H 8.038683000 -1.964007000 8.943383000
H 5.780686000 -1.333585000 8.395468000
H 3.604979000 -0.909262000 9.084780000

H 2.029733000 -0.315211000 10.922946000
H 1.672696000 0.060618000 13.273677000
H 2.290439000 0.327335000 15.253240000
H 3.954366000 0.824398000 16.914659000
H 6.255785000 1.333585000 17.427224000
H 8.447606000 1.891266000 16.702563000
H 9.925491000 2.630800000 14.988120000
H 10.286033000 3.200604000 12.619714000
H 8.559741000 2.909640000 11.135042000
H 6.570317000 1.891266000 11.711236000


M-8a-azonia[6]helicene (from BP86/STO-3G)


N        0.241946000      3.510759000     13.746203000
C -1.207087000 7.492952000 12.512135000
C -1.801472000 8.692275000 12.089683000
C -2.102492000 8.912745000 10.707738000
C -1.853647000 7.899258000 9.772330000
C -1.278056000 6.643678000 10.182732000
C -1.146616000 5.553783000 9.229249000
C -0.770948000 4.283969000 9.646130000

C -0.392477000 4.045979000 11.023979000
C -0.161103000 2.688046000 11.484550000
C 0.042219000 2.428893000 12.821687000
C 0.400500000 3.183323000 15.136378000
C 0.639392000 4.176721000 16.059802000
C 0.949043000 5.527644000 15.625469000
C 1.361398000 6.519481000 16.597330000
C 1.808770000 7.766658000 16.182869000
C 1.981223000 8.066019000 14.770425000
C 2.627560000 9.287588000 14.362758000

C 2.913363000 9.530579000 13.012425000
C 2.578886000 8.546652000 12.028110000
C 1.916409000 7.363991000 12.392255000
C 1.565834000 7.097902000 13.763105000
C 0.907348000 5.851096000 14.211296000
C 0.281492000 4.885356000 13.292158000
C -0.309154000 5.144896000 11.968134000
C -0.894790000 6.445456000 11.575101000
H -1.007504000 7.339193000 13.585554000
H -2.048406000 9.472285000 12.834293000

H -2.558542000 9.868716000 10.388465000
H -2.123797000 8.035037000 8.708340000
H -1.422274000 5.738729000 8.172836000
H -0.763274000 3.430969000 8.943112000
H -0.251900000 1.843110000 10.776492000
H 0.087281000 1.420761000 13.274365000
H 0.295196000 2.107892000 15.372408000
H 0.697253000 3.916258000 17.133249000
H 1.320711000 6.254708000 17.669775000
H 2.110372000 8.530075000 16.926174000

H 2.921715000 10.016221000 15.141242000
H 3.423497000 10.463796000 12.708003000
H 2.853573000 8.716110000 10.969950000
H 1.691114000 6.611596000 11.618453000

$\ce{KO{}^{\mathit{t}}Bu}$ tetramer (from crystal structure)


K       -1.309381000     -1.309381000     -1.309381000
O -1.313567000 1.313567000 -1.313567000
C -2.107232000 2.107232000 -2.107232000
C -3.502008000 2.298114000 -1.478495000

H -3.842748000 1.465100000 -1.465100000
H -4.060420000 2.821364000 -2.059512000
H -3.516240000 2.821364000 -0.619528000
O -1.313567000 -1.313567000 1.313567000
O 1.313567000 -1.313567000 -1.313567000
K -1.309381000 1.309381000 1.309381000
K 1.309381000 1.309381000 -1.309381000
C -1.478495000 3.502008000 -2.298114000
C -2.298114000 1.478495000 -3.502008000
K 1.309381000 -1.309381000 1.309381000

C -2.107232000 -2.107232000 2.107232000
C 2.107232000 -2.107232000 -2.107232000
O 1.313567000 1.313567000 1.313567000
H -1.465100000 3.842748000 -1.465100000
H -2.059512000 4.060420000 -2.821364000
H -0.619528000 3.516240000 -2.821364000
H -1.465100000 1.465100000 -3.842748000
H -2.821364000 2.059512000 -4.060420000
H -2.821364000 0.619528000 -3.516240000
C -1.478495000 -3.502008000 2.298114000

C -3.502008000 -2.298114000 1.478495000
C -2.298114000 -1.478495000 3.502008000
C 3.502008000 -1.478495000 -2.298114000
C 1.478495000 -2.298114000 -3.502008000
C 2.298114000 -3.502008000 -1.478495000
C 2.107232000 2.107232000 2.107232000
H -1.465100000 -3.842748000 1.465100000
H -2.059512000 -4.060420000 2.821364000
H -0.619528000 -3.516240000 2.821364000
H -3.842748000 -1.465100000 1.465100000

H -4.060420000 -2.821364000 2.059512000
H -3.516240000 -2.821364000 0.619528000
H -1.465100000 -1.465100000 3.842748000
H -2.821364000 -2.059512000 4.060420000
H -2.821364000 -0.619528000 3.516240000
H 1.465100000 -1.465100000 -3.842748000
H 3.842748000 -1.465100000 -1.465100000
H 4.060420000 -2.059512000 -2.821364000
H 3.516240000 -0.619528000 -2.821364000
H 2.059512000 -2.821364000 -4.060420000

H 0.619528000 -2.821364000 -3.516240000
H 1.465100000 -3.842748000 -1.465100000
H 2.821364000 -4.060420000 -2.059512000
H 2.821364000 -3.516240000 -0.619528000
C 1.478495000 2.298114000 3.502008000
C 3.502008000 1.478495000 2.298114000
C 2.298114000 3.502008000 1.478495000
H 1.465100000 1.465100000 3.842748000
H 2.059512000 2.821364000 4.060420000
H 0.619528000 2.821364000 3.516240000

H 3.842748000 1.465100000 1.465100000
H 4.060420000 2.059512000 2.821364000
H 3.516240000 0.619528000 2.821364000
H 1.465100000 3.842748000 1.465100000
H 2.821364000 4.060420000 2.059512000
H 2.821364000 3.516240000 0.619528000

Grubbs I catalyst


Ru      1.923022    1.782458    4.279841
Cl 3.508375 2.054525 6.061616

P 0.620071 3.495015 5.336792
C 2.967497 2.881791 3.239789
Cl 0.101984 1.197998 2.838894
P 2.855052 -0.401312 3.741075
C 2.954465 3.343954 1.839333
Cl 3.310061 4.678711 -2.473972
C 1.880873 3.257547 0.960743
C 1.973325 3.667349 -0.352875
C 3.185197 4.168660 -0.812833
C 4.252303 4.292067 0.012884

C 4.145603 3.890748 1.341393
C -0.637087 4.207002 4.175769
C -1.979932 4.694567 4.692950
C -2.932151 4.983356 3.538285
C -2.339331 5.946324 2.517809
C -0.957803 5.505405 2.056512
C -0.041546 5.252113 3.235271
C 1.483967 4.856669 6.241316
C 0.518279 5.817396 6.934517
C 1.256971 6.738015 7.899778

C 2.346867 7.495106 7.161401
C 3.302557 6.547168 6.465690
C 2.565538 5.630984 5.497585
C -0.333586 2.698072 6.719178
C -1.014762 1.418485 6.241149
C -1.859827 0.796208 7.358000
C -1.043744 0.536540 8.601177
C -0.361483 1.805588 9.075860
C 0.493782 2.427234 7.979254
C 2.628515 -0.975242 1.991593

C 3.236690 -0.059043 0.937820
C 2.687448 -0.416553 -0.435697
C 2.971677 -1.856587 -0.778868
C 2.466883 -2.799363 0.290130
C 2.999176 -2.423218 1.675026
C 4.622054 -0.540862 4.248552
C 5.523290 0.453308 3.517538
C 6.887074 0.518241 4.175936
C 7.549339 -0.842629 4.233326
C 6.649166 -1.859830 4.903939

C 5.271941 -1.927013 4.232992
C 1.995357 -1.737789 4.704830
C 2.010202 -1.452357 6.212537
C 1.292567 -2.535071 7.008639
C -0.120796 -2.764155 6.507353
C -0.110733 -3.109699 5.031603
C 0.567738 -2.010334 4.218268
H 3.716836 3.154747 3.670969
H 1.120535 2.917815 1.276640
H 1.189061 3.632874 -0.962082

H 5.017596 4.645026 -0.262690
H 4.792512 4.003484 1.897392
H -0.815388 3.399122 3.615754
H -1.902150 5.510235 5.223685
H -2.378700 3.974732 5.228704
H -3.726326 5.342882 3.821555
H -3.181986 4.184074 3.125510
H -2.984577 6.066660 1.748479
H -2.250423 6.781889 2.909669
H -1.054116 4.674447 1.537657

H -0.576082 6.145292 1.467384
H 0.723372 4.965838 2.939787
H 0.125317 6.138803 3.761321
H 1.921040 4.375890 6.908583
H 1.676706 6.235725 8.636983
H -0.145301 5.369077 7.433963
H 0.091950 6.422548 6.224250
H 0.676388 7.347621 8.295653
H 2.791319 8.070082 7.723424
H 1.896364 8.099751 6.522077

H 3.914233 7.048872 6.008409
H 3.698100 6.058287 7.055823
H 3.116098 5.021349 5.094850
H 2.158660 6.180195 4.786983
H -1.006024 3.336226 6.935353
H -1.559257 1.598311 5.456258
H -0.325083 0.765200 6.003389
H -2.608220 1.404611 7.524315
H -2.214635 0.029761 7.044111
H -0.418035 -0.117788 8.397718

H -1.627822 0.182306 9.277813
H 0.176244 1.645756 9.829964
H -1.053680 2.460437 9.333028
H 0.877440 3.225032 8.287287
H 1.235327 1.881817 7.763580
H 1.720632 -0.869158 1.853889
H 4.184273 -0.146643 0.965428
H 3.012517 0.820454 1.136093
H 1.847900 -0.200343 -0.409930
H 3.096540 0.151437 -1.100956

H 3.904789 -1.982340 -0.878422
H 2.584028 -2.105280 -1.617970
H 2.763571 -3.703670 0.105411
H 1.556168 -2.778368 0.317905
H 4.607903 -0.216537 5.166797
H 3.990062 -2.477871 1.686571
H 2.642313 -3.025155 2.339113
H 5.156005 1.289122 3.512016
H 5.590006 0.129866 2.598457
H 6.737696 0.838429 5.032942

H 7.431919 1.106030 3.739569
H 8.390108 -0.830548 4.679900
H 7.729962 -1.148361 3.309561
H 6.514020 -1.632968 5.797587
H 7.041226 -2.668142 4.887375
H 4.662063 -2.600521 4.676553
H 5.418404 -2.225128 3.326293
H 2.516573 -2.545817 4.572816
H 1.564734 -0.621934 6.319621
H 2.866067 -1.356878 6.528769

H 1.774146 -3.375710 6.968817
H 1.285356 -2.270001 7.937592
H -0.502310 -3.449358 7.037418
H -0.746615 -1.928105 6.670990
H 0.328488 -3.937948 4.917492
H -1.013735 -3.235955 4.696631
H 0.558651 -2.294513 3.264385
H 0.034321 -1.214512 4.228140

family members - Kaddish yatom: what if a parent really *is* wicked?



I understand that a soul may be judged for a full 12 months after death but that we (generally) only say kaddish yatom for a parent for 11 months because the longest period is for the worst sinners and we presume that our parents are not wicked.


But what if they are? What if, chas v'shalom, one has the misfortune of being the child of somebody he understands to be among the worst sinners and thus in need of the full 12 months? Should he say say kaddish for the full 12 months (to continue to provide benefit to the soul), or should he say it for only 11 months to avoid calling attention to the deceased's wickedness? Does it depend on how public the wickedness is -- maybe if "everybody knows" you go for the full year but if it's more private you don't?


I'd like to clarify that this question is asked out of intellectual curiosity and not out of need. B"H my parents are (a) still alive and (b) definitely not wicked.




usage - Why is 間{かん} used to denote some amounts of time but not others?



I've been thinking about how to express a duration of time and how in the past I have added 間{かん} in situations where I found that I shouldn't have.


Take the following sentences as examples.



○: 30分後ご飯を食べる。


☓: 30分間後ご飯を食べる


○: 3年前日本に行った。


☓: 3年間前日本に行った。


○: 3時間後出かける。


☓: 3時後出かける。




Of course there are other examples that I could give but I think this kind of boils it down to the main point. When I think of 間 as a concept I generally think of it as an emphasis on start-to-finish time, like 1年間日本語コース or something like that. Why, then, does this not apply to expressing time in the future/past? Specifically I have said before something like 1年間後日本に行く or something like that, using 年間 in the same way that you would use 時間, only later to find that is not natural usage.


So this leads to the question of why these words cannot all be used in a consistent way. Is there something special about 時間 as a word that excuses it from counter, or are the rules inconsistent, or is there a pattern that I'm missing? I'm aware of 時間 as the word for hours, but as in Chocolate's answer, we don't say 一時間間.



Answer



Yes, [一分間]{いっぷんかん}, [一ヶ月間]{いっかげつかん} and [一年間]{いちねんかん} exist, but the [間]{かん} in them is not the same as in [一時間]{いちじかん} and [一週間]{いっしゅうかん}.


The 間 in 一時間 and 一週間 is a part of the counter words for "hour" and "week", but the counter words for "minute", "month" and "year" are 分, ヶ月 and 年 (not 分間, ヵ月間, 年間), and the 間 in 一分間, 一ヶ月間 and 一年間 is more like "for~~" or "during~~". So I think this is why you can say [一時間後]{いちじかんご} and [一週間後]{いっしゅうかんご} but not [一年間後]{いちねんかんご} or [一分間後]{いっぷんかんご}.


You can say [一週間]{いっしゅうかん}の[間]{あいだ}, [一時間]{いちじかん}の[間]{あいだ}, but [一分間]{いっぷんかん}の[間]{あいだ}, [一ヶ月間]{いっかげつかん}の[間]{あいだ} and [一年間]{いちねんかん}の[間]{あいだ} would be grammatically redundant, although quite a lot of people use ~~分間の間, ~~年間の間.


Don't ask me why we don't say [一週間間]{いっしゅうかんかん} for "for one week" or [一時間間]{いちじかんかん} for "for one hour" while we say [一分間]{いっぷんかん} (for one minute), [一ヶ月間]{いっかげつかん} (for one month), and [一年間]{いちねんかん} (for one year). (^_^;)


periodic trends - Comparing radii in lithium, beryllium, magnesium, aluminium and sodium ions

Apparently the of last four, $\ce{Mg^2+}$ is closest in radius to $\ce{Li+}$. Is this true, and if so, why would a whole larger shell ($\ce{...