[HN Gopher] Czech scientists confirm the existence of the p-hole...
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       Czech scientists confirm the existence of the p-hole in molecules
        
       Author : jakubmazanec
       Score  : 104 points
       Date   : 2023-09-05 16:03 UTC (6 hours ago)
        
 (HTM) web link (www.avcr.cz)
 (TXT) w3m dump (www.avcr.cz)
        
       | fooker wrote:
       | Does this have real consequences for material science or
       | chemistry?
       | 
       | It's difficult to gauge the actual impact from the hyperbole in
       | the article (similar to discovery of black holes, etc).
        
         | gus_massa wrote:
         | IIUC:
         | 
         | For Material Science: very little
         | 
         | For Chemistry: Reading the paper, it looks like DFT[1] gets the
         | same result than the experiments. It's nice to confirm DFT in a
         | weird scenario, but it's not groundbreaking. There are a few
         | versions and parameters to tweak in DFT, so it may help to
         | choose the right one for similar molecules, but I'm not an
         | expert in DFT.
         | 
         | Black holes: That was totally hyperbole. I chuckle. It looks
         | like people have been using pi-holes to predict the strength of
         | the bound between molecules [2]. It's nice to be able to "see"
         | them in a real example, but doesn't look groundbreaking. (There
         | is always a small possibility that this technique is improved
         | and in a few years everyone is using it to identify molecules
         | or something like that. I don't expect that, but you never
         | know. Sometimes experimental results create a complete new
         | branch.)
         | 
         | [1] https://en.wikipedia.org/wiki/Density_functional_theory
         | 
         | [2] I made a search in google, and I cherry-picked these
         | articles https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8003638/
         | https://pubs.rsc.org/en/content/articlelanding/2021/cp/d1cp0...
        
         | downWidOutaFite wrote:
         | This is experimental confirmation of existing accepted theories
         | 
         | "The confirmation of the existence of the p-hole, as well as
         | the s-hole before it, fully demonstrates the quality of the
         | theoretical predictions of quantum chemistry, which have
         | accounted for both phenomena for decades."
        
       | calibas wrote:
       | For anyone confused by the comments here: https://pi-hole.net/
        
         | [deleted]
        
         | dang wrote:
         | They're flagged; let's resist now. This kind of thing is sort
         | of at the midpoint between these two HN guidelines:
         | 
         | " _Please don 't pick the most provocative thing in an article
         | or post to complain about in the thread. Find something
         | interesting to respond to instead._"
         | 
         | " _Please don 't complain about tangential annoyances--e.g.
         | article or website formats, name collisions, or back-button
         | breakage. They're too common to be interesting._"
         | 
         | https://news.ycombinator.com/newsguidelines.html
        
         | kzrdude wrote:
         | And https://www.collinsdictionary.com/dictionary/english/pie-
         | hol...
        
       | [deleted]
        
       | [deleted]
        
       | [deleted]
        
       | [deleted]
        
       | [deleted]
        
       | pr8dan wrote:
       | [flagged]
        
         | kennyadam wrote:
         | You thought they were using a DNS-based as filter with
         | molecules?
        
           | zamadatix wrote:
           | It's a pun on the DNS filtering software pi-hole.
           | 
           | As nerdy as HN is it's safe to assume this is on the front
           | page because the name sounds funny not because the majority
           | are secretly spending years of their lives going deep into
           | things like molecular studies posted in Nature.
        
             | Etheryte wrote:
             | Alternatively, people upvote things which are
             | intellectually interesting. Discoveries like this are
             | interesting to read about even if you're not a molecular
             | scientist.
        
               | whatshisface wrote:
               | Molecular scientists are called chemists
        
               | Etheryte wrote:
               | Not necessarily, while there is considerable overlap,
               | molecular physics is considered a field of its own.
        
       | adelarsq wrote:
       | Can someone explain why this discovery is linked with black holes
       | discovery? It's just for the experimental research or its there
       | something more?
        
         | malux85 wrote:
         | I think they are drawing on the similarity that both things
         | (pi-hole and black holes) were theorized long before they were
         | proven -
         | 
         | but I dont think this is a very good addition to the article,
         | it just confuses concepts that aren't related
        
       | Old_Paris wrote:
       | It's just a matter of time till the existence of the k-hole get's
       | confirmed.
        
         | nathan_douglas wrote:
         | I experimentally verified that years in the past, when I was
         | shacked up with some dolphins and a flexible assistant.
         | 
         | I'm able to continually confirm the existence of a near
         | infinite number of a-holes, though.
        
         | [deleted]
        
       | wkat4242 wrote:
       | [flagged]
        
       | gilleain wrote:
       | So I'm aware of aromatic interactions in proteins and DNA
       | <https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3530875> and
       | electron holes - <https://en.wikipedia.org/wiki/Electron_hole>
       | which is a quasiparticle.
       | 
       | Is this research then relevant to charges moving through DNA or
       | proteins?
        
       | 19h wrote:
       | [flagged]
        
         | [deleted]
        
       | rebolek wrote:
       | Czechia is the world's largest electron microscopes producer so
       | it's nice to see that the microscopes are useful in domestic
       | research too.
        
       | [deleted]
        
       | tifik wrote:
       | Link directly to the Nature article for those curious (or, like
       | me, if you just want to see the pictures):
       | https://www.nature.com/articles/s41467-023-40593-3
        
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       (page generated 2023-09-05 23:02 UTC)