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1.
Molecules ; 28(1)2022 Dec 21.
Artículo en Inglés | MEDLINE | ID: mdl-36615258

RESUMEN

Naphthyl groups are widely used as building blocks for the self-assembly of supramolecular crystal networks. Host-guest complexation of cucurbit[8]uril (Q[8]) with two guests NapA and Nap1 in both aqueous solution and solid state has been fully investigated. Experimental data indicated that double guests resided within the cavity of Q[8], generating highly stable homoternary complexes NapA2@Q[8] and Nap12@Q[8]. Meanwhile, the strong hydrogen-bonding and π···π interaction play critical roles in the formation of 1D supramolecular chain, as well as 2D and 3D networks in solid state.

2.
Entropy (Basel) ; 24(8)2022 Aug 16.
Artículo en Inglés | MEDLINE | ID: mdl-36010797

RESUMEN

At present, electron optical simulator (EOS) takes a long time to solve linear FEM systems. The algebraic multigrid preconditioned conjugate gradient (AMGPCG) method can improve the efficiency of solving systems. This paper is focused on the implementation of the AMGPCG method in EOS. The aggregation-based scheme, which uses two passes of a pairwise matching algorithm and the K-cyle scheme, is adopted in the aggregation-based algebraic multigrid method. Numerical experiments show the advantages and disadvantages of the AMG algorithm in peak memory and solving efficiency. The AMGPCG is more efficient than the iterative methods used in the past and only needs one coarsening when EOS computes the particle motion trajectory.

3.
World J Clin Cases ; 9(30): 9122-9128, 2021 Oct 26.
Artículo en Inglés | MEDLINE | ID: mdl-34786395

RESUMEN

BACKGROUND: Accessory and cavitated uterine mass (ACUM) is an uncommon form of connate Müllerian anomaly seen in young and nulliparous women, which presents as chronic periodic pelvic pain and severe dysmenorrhea. The entity is often underdiagnosed due to a broad differential diagnosis, including rudimentary uterine horn, true cavitated adenomyosis and degenerating fibroids. CASE SUMMARY: A 22-year-old woman who presented with severe dysmenorrhea and was initially misdiagnosed with cystic adenomyosis. Gynecological examination and ultrasonography were performed. The patient underwent laparoscopic excision of the mass and histopathological examination confirmed the diagnosis. Postoperatively, the patient did well, with no further dysmenorrhea. CONCLUSION: ACUM is difficult to diagnose. A correct diagnosis can be made only after excision and histopathological evaluation. Surgical excision is necessary and can be carried out by laparoscopy.

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