{"id":285,"date":"2025-03-14T18:30:07","date_gmt":"2025-03-14T09:30:07","guid":{"rendered":"https:\/\/www-p.sci.ocha.ac.jp\/kuroki-lab\/?p=285"},"modified":"2025-03-14T18:36:23","modified_gmt":"2025-03-14T09:36:23","slug":"j-comput-chem-jpn-%e3%81%ab%e8%ab%96%e6%96%87%e3%81%8c%e6%8e%b2%e8%bc%89","status":"publish","type":"post","link":"https:\/\/www-p.sci.ocha.ac.jp\/kuroki-lab\/2025\/03\/14\/j-comput-chem-jpn-%e3%81%ab%e8%ab%96%e6%96%87%e3%81%8c%e6%8e%b2%e8%bc%89\/","title":{"rendered":"J.Comput.Chem.Jpn.\u306b\u8ad6\u6587\u304c\u63b2\u8f09\u3055\u308c\u307e\u3057\u305f"},"content":{"rendered":"<p>\u65e5\u672c\u30b3\u30f3\u30d4\u30e5\u30fc\u30bf\u5316\u5b66\u4f1a2024\u79cb\u5b63\u5e74\u4f1a\u306b\u3066\u77f3\u90f7\u5ca1\u3055\u3093(M1)\u304c\u767a\u8868\u3057\u305f\u7814\u7a76\u5185\u5bb9\u304c\u3001\u7cbe\u9078\u8ad6\u6587\u306b\u9078\u51fa\u3055\u308c\u3001Journal of Computer Chemistry, Japan\u306b\u63b2\u8f09\u3055\u308c\u307e\u3057\u305f\u3002<\/p>\n<p>\u6709\u52b9\u30d5\u30e9\u30b0\u30e1\u30f3\u30c8\u30dd\u30c6\u30f3\u30b7\u30e3\u30eb\u6cd5\u306b\u57fa\u3065\u304f\u5206\u5b50\u52d5\u529b\u5b66\u30b7\u30df\u30e5\u30ec\u30fc\u30b7\u30e7\u30f3\u306b\u3088\u308a\u3001\u51cd\u7d50\u4fdd\u8b77\u5264\u3068\u3057\u3066\u6d3b\u7528\u3055\u308c\u308bDMSO\u306e\u6c34\u548c\u69cb\u9020\u3092\u3001\u6eb6\u8cea\u6eb6\u5a92\u9593\u76f8\u4e92\u4f5c\u7528\u306e\u89b3\u70b9\u304b\u3089\u691c\u8a0e\u3057\u307e\u3057\u305f\u3002<\/p>\n<p>&nbsp;<\/p>\n<h4>Journal of Computer Chemistry, Japan<\/h4>\n<p><img loading=\"lazy\" decoding=\"async\" class=\"alignright wp-image-331\" src=\"http:\/\/www-p.sci.ocha.ac.jp\/kuroki-lab\/wp-content\/uploads\/sites\/45\/2025\/02\/TOC-150x150.png\" alt=\"\" width=\"120\" height=\"120\" data-wp-editing=\"1\" srcset=\"https:\/\/www-p.sci.ocha.ac.jp\/kuroki-lab\/wp-content\/uploads\/sites\/45\/2025\/02\/TOC-150x150.png 150w, https:\/\/www-p.sci.ocha.ac.jp\/kuroki-lab\/wp-content\/uploads\/sites\/45\/2025\/02\/TOC-300x300.png 300w, https:\/\/www-p.sci.ocha.ac.jp\/kuroki-lab\/wp-content\/uploads\/sites\/45\/2025\/02\/TOC-144x144.png 144w, https:\/\/www-p.sci.ocha.ac.jp\/kuroki-lab\/wp-content\/uploads\/sites\/45\/2025\/02\/TOC-24x24.png 24w, https:\/\/www-p.sci.ocha.ac.jp\/kuroki-lab\/wp-content\/uploads\/sites\/45\/2025\/02\/TOC-36x36.png 36w, https:\/\/www-p.sci.ocha.ac.jp\/kuroki-lab\/wp-content\/uploads\/sites\/45\/2025\/02\/TOC-48x48.png 48w, https:\/\/www-p.sci.ocha.ac.jp\/kuroki-lab\/wp-content\/uploads\/sites\/45\/2025\/02\/TOC.png 689w\" sizes=\"auto, (max-width: 120px) 100vw, 120px\" \/><\/p>\n<p><strong>\u30b8\u30e1\u30c1\u30eb\u30b9\u30eb\u30db\u30ad\u30b7\u30c9\u306e\u6c34\u548c\u69cb\u9020\u8a55\u4fa1: \u6709\u52b9\u30d5\u30e9\u30b0\u30e1\u30f3\u30c8\u30dd\u30c6\u30f3\u30b7\u30e3\u30eb-\u5206\u5b50\u52d5\u529b\u5b66\u8a08\u7b97<\/strong><\/p>\n<p style=\"padding-left: 40px\">\u77f3\u90f7\u5ca1 \u77e5\u91cc, \u9ed2\u6728 \u83dc\u4fdd\u5b50*<br \/>\n<em>J. Comput. Chem. Jpn.<\/em>\u00a0<strong>24<\/strong>, 1, 1\u20134 (2025.3.14).<br \/>\nDOI: <a href=\"https:\/\/doi.org\/10.2477\/jccj.2024-0042\">10.2477\/jccj.2024-0042<\/a><\/p>\n<blockquote><p>Dimethyl sulfoxide (DMSO), widely used as a cryoprotectant, drug, and oxidant, contains a hydrophilic S=O and hydrophobic CH<sub>3<\/sub> groups and is fully miscible with water in any ratio. In this study, intermolecular interactions in dilute aqueous DMSO solution were analyzed using effective fragment potential-molecular dynamics (EFP-MD) simulations. The analysis revealed that DMSO induced stable interactions with water molecules not only around its hydrophilic S=O group but also near the CH<sub>3<\/sub> groups. The interaction lifetimes suggested that the hydrogen bonding network in the first hydration shell is directional.<\/p><\/blockquote>\n","protected":false},"excerpt":{"rendered":"<p>\u65e5\u672c\u30b3\u30f3\u30d4\u30e5\u30fc\u30bf\u5316\u5b66\u4f1a2024\u79cb\u5b63\u5e74\u4f1a\u306b\u3066\u77f3\u90f7\u5ca1\u3055\u3093(M1)\u304c\u767a\u8868\u3057\u305f\u7814\u7a76\u5185\u5bb9\u304c\u3001\u7cbe\u9078\u8ad6\u6587\u306b\u9078\u51fa\u3055\u308c\u3001Journal of Computer Chemistry, Japan\u306b\u63b2\u8f09\u3055\u308c\u307e\u3057\u305f\u3002 \u6709\u52b9\u30d5\u30e9\u30b0\u30e1\u30f3\u30c8\u30dd\u30c6\u30f3\u30b7\u30e3 &hellip; <a href=\"https:\/\/www-p.sci.ocha.ac.jp\/kuroki-lab\/2025\/03\/14\/j-comput-chem-jpn-%e3%81%ab%e8%ab%96%e6%96%87%e3%81%8c%e6%8e%b2%e8%bc%89\/\">\u7d9a\u304d\u3092\u8aad\u3080 <span class=\"meta-nav\">&rarr;<\/span><\/a><\/p>\n","protected":false},"author":71,"featured_media":0,"comment_status":"closed","ping_status":"closed","sticky":false,"template":"","format":"standard","meta":{"footnotes":""},"categories":[9],"tags":[],"class_list":["post-285","post","type-post","status-publish","format-standard","hentry","category-papers"],"_links":{"self":[{"href":"https:\/\/www-p.sci.ocha.ac.jp\/kuroki-lab\/wp-json\/wp\/v2\/posts\/285","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/www-p.sci.ocha.ac.jp\/kuroki-lab\/wp-json\/wp\/v2\/posts"}],"about":[{"href":"https:\/\/www-p.sci.ocha.ac.jp\/kuroki-lab\/wp-json\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"https:\/\/www-p.sci.ocha.ac.jp\/kuroki-lab\/wp-json\/wp\/v2\/users\/71"}],"replies":[{"embeddable":true,"href":"https:\/\/www-p.sci.ocha.ac.jp\/kuroki-lab\/wp-json\/wp\/v2\/comments?post=285"}],"version-history":[{"count":20,"href":"https:\/\/www-p.sci.ocha.ac.jp\/kuroki-lab\/wp-json\/wp\/v2\/posts\/285\/revisions"}],"predecessor-version":[{"id":434,"href":"https:\/\/www-p.sci.ocha.ac.jp\/kuroki-lab\/wp-json\/wp\/v2\/posts\/285\/revisions\/434"}],"wp:attachment":[{"href":"https:\/\/www-p.sci.ocha.ac.jp\/kuroki-lab\/wp-json\/wp\/v2\/media?parent=285"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/www-p.sci.ocha.ac.jp\/kuroki-lab\/wp-json\/wp\/v2\/categories?post=285"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/www-p.sci.ocha.ac.jp\/kuroki-lab\/wp-json\/wp\/v2\/tags?post=285"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}