A Competing Hydrogen Bond Network Offers Access to a New Conformation in 24-Atom Triazine Macrocycles.

K Harsha Vardan Reddy, Arshad Mehmood, Akop Yepremyan, Eric E Simanek

Abstract read

In one paragraph

Article in Molecules (Basel, Switzerland), 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.

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0citing papers in PubMed

–field-weighted citation impact

1 · What the graph read from it

What it found

Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.

The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.

2 · The registry

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Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.

Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.

3 · Its place in the literature

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0 citing papers in PubMed.

No citing paper in PubMed yet.

4 · The record

Corrections and comments

PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

4 authors.

K Harsha Vardan ReddyDepartment of Chemistry & Biochemistry, Texas Christian University, Fort Worth, TX 76129, USA.ORCID 0000-0003-2385-6162

Arshad MehmoodInstitute for Advanced Computational Science, Stony Brook University, Stony Brook, NY 11794, USA.ORCID 0000-0001-7819-3648

Akop YepremyanDepartment of Chemistry & Biochemistry, Texas Christian University, Fort Worth, TX 76129, USA.

Eric E SimanekDepartment of Chemistry & Biochemistry, Texas Christian University, Fort Worth, TX 76129, USA.ORCID 0000-0002-3195-4523

Funding

NIGMS NIH HHS R15 NIGMS 139950Welch Foundation P-0008

6 · The paper itself

Abstract

For a family of 24-atom triazine macrocycles, a single intramolecular hydrogen bond (IMHB) network leads to a conserved, hinge-like motif in solution. Modifications to the backbone of these macrocycles preserve this motif. Modifications to peripheral sites lead to conformational isomers due to hindered bond rotation while conserving the hinge motif. Here, a competitive IMHB network is introduced by the addition of a hydrogen bond donor on the periphery. Cyclization remains quantitative, but multiple conformers result. Three conformers are derived from the hinge motif. Three others are attributed to a new motif that utilizes the new IMHB network. Crystallographic analysis confirms this hypothesis and establishes that this new motif differs significantly from the original with respect to overall shape and disposition of groups. Variable temperature

Indexed as

conformationconformerintramolecular hydrogen bond networkisomermacrocycleQTAIMrotamerstructure determinationtriazinevariable temperature NMR

Identifiers

PMID41302530

DOI10.3390/molecules30224475

PMCPMC12655256

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Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.