Publications by authors named "Hyojin Kim"

264 Publications

Mori Cortex Radicis extract inhibits human norovirus surrogate in simulated digestive conditions.

Food Sci Biotechnol 2021 Aug 29:1-6. Epub 2021 Aug 29.

Department of Food and Nutrition, Duksung Women's University, Seoul, 01369 Korea.

Norovirus is a major cause of acute gastroenteritis globally, resulting in enormous health and societal costs. In this study, the antiviral activities of Mori Cortex Radicis (MCR) extract and its bioactive flavonoids, morusin and kuwanon G, were tested against murine norovirus (MNV), a human norovirus surrogate, using plaque assay. The antiviral activity was confirmed in simulated digestive conditions, including simulated saliva fluid (SSF), simulated gastric fluid (SGF), and simulated intestinal fluid (SIF). Pre-treatment of MNV with MCR extract at 1000 µg/mL showed antiviral activity with a 1.1-log reduction. Morusin and kuwanon G also demonstrated a 1.0-log and 0.6-log reductions of MNV titers, respectively, at 100 µM. MCR extract at a concentration of 2 mg/mL in SSF, SGF, and SIF markedly reduced MNV titers by 1.8, 1.9, and 1.5 logs, respectively. Therefore, these data suggest that MCR extract can be used to control norovirus infectivity.
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http://dx.doi.org/10.1007/s10068-021-00958-0DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC8403467PMC
August 2021

Discovery of Small-Molecule Inhibitors of SARS-CoV-2 Proteins Using a Computational and Experimental Pipeline.

Front Mol Biosci 2021 9;8:678701. Epub 2021 Jul 9.

Lawrence Livermore National Laboratory, Computing Directorate, Global Security Computing Division, Livermore, CA, United States.

A rapid response is necessary to contain emergent biological outbreaks before they can become pandemics. The novel coronavirus (SARS-CoV-2) that causes COVID-19 was first reported in December of 2019 in Wuhan, China and reached most corners of the globe in less than two months. In just over a year since the initial infections, COVID-19 infected almost 100 million people worldwide. Although similar to SARS-CoV and MERS-CoV, SARS-CoV-2 has resisted treatments that are effective against other coronaviruses. Crystal structures of two SARS-CoV-2 proteins, spike protein and main protease, have been reported and can serve as targets for studies in neutralizing this threat. We have employed molecular docking, molecular dynamics simulations, and machine learning to identify from a library of 26 million molecules possible candidate compounds that may attenuate or neutralize the effects of this virus. The viability of selected candidate compounds against SARS-CoV-2 was determined experimentally by biolayer interferometry and FRET-based activity protein assays along with virus-based assays. In the pseudovirus assay, imatinib and lapatinib had IC values below 10 μM, while candesartan cilexetil had an IC value of approximately 67 µM against M in a FRET-based activity assay. Comparatively, candesartan cilexetil had the highest selectivity index of all compounds tested as its half-maximal cytotoxicity concentration 50 (CC) value was the only one greater than the limit of the assay (>100 μM).
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http://dx.doi.org/10.3389/fmolb.2021.678701DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC8315004PMC
July 2021

Mini-Scleral Contact Lens for Asian Eyes Post-Penetrating Keratoplasty with Smaller Palpebral Aperture: Case Reports.

Clin Optom (Auckl) 2021 20;13:161-166. Epub 2021 May 20.

CK St.Mary's Eye Center, Seoul, Republic of Korea.

Purpose: To report the use of miniscleral contact lenses (MSCLs) with diameter of 14.7 mm for Asian eyes to improve vision in patients after penetrating keratoplasty (PKP) surgery.

Methods: Two patients with high corneal astigmatism post-PKP were evaluated for a contact lens fitting. Visual acuity, slit lamp, and anterior segment OCT findings before and after fitted the lens of 14.7 mm diameter were recorded.

Results: A Kmax of case 1 and 2 were 52.8 D and 76.9 D, respectively at the first visit. Both patients were successfully fit with MSCLs, showing adequate corneal clearance of over 250 μm with no corneal touch on OCT and sufficient limbal clearance and edge alignment. MSCLs use resulted in improved comfort and visual acuity of 20/30 or better.

Conclusion: MSCLs with diameter of 14.7 mm can be considered a safe and effective option for patients with highly steep corneas post-PKP surgery in Asian eyes.
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http://dx.doi.org/10.2147/OPTO.S295238DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC8290849PMC
May 2021

Optical-Dissymmetry Phase Transitions in an Achiral Helical-Spring Polymer through Controlled Noncovalent Interactions.

J Phys Chem B 2021 07 14;125(29):8251-8260. Epub 2021 Jul 14.

Department of Polymer Science & Engineering, Polymeric Nanomaterials Laboratory, School of Applied Chemical Engineering, Kyungpook National University, 1370 Sankyuk-dong, Buk-ku, Daegu 702-701, Korea.

Noncovalent chemistry may offer diversity in the functions and applications for artificial polymers by allowing various ordered-disordered phase transitions in a precisely controlled manner. To verify this notion from a fundamental perspective, we examined an achiral poly(phenylacetylene) derivative with an α-helical structure as a helical-spring polymer for revealing phase changes through control of intramolecular hydrogen bonding with the chiral solvent and temperature. When an amine capable of hydrogen bonding was used as the chiral solvent, either an irreversible helix-helix or a reversible helix-coil phase change occurred in an optically dissymmetric manner according to the amount of the chiral solvent added and ambient temperature. Considering the hydrogen-bonding strength values of the solvent mixture and the thermodynamic parameters, we could predict if the optical-dissymmetry phase changes would occur and, if so, how they occur. Our results were similar to those see for the denaturation of proteins, induced by solvent and temperature, based on helix-coil phase transition.
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http://dx.doi.org/10.1021/acs.jpcb.1c05345DOI Listing
July 2021

Palisaded encapsulated neuroma on the lower lip.

Yeungnam Univ J Med 2021 Jul 9. Epub 2021 Jul 9.

Department of Dermatology, Inje University Busan Paik Hospital, Inje University College of Medicine, Busan, Korea.

Palisading encapsulated neuroma is a rare, benign, cutaneous nerve sheath tumor. It usually occurs as an asymptomatic solitary skin-colored papule and commonly affects the nose and cheeks. Sometimes, it involves other sites, including the shoulder, upper arm, and trunk, but rarely involves the oral mucosa, including that of the lip. In our case, a 63-year-old female patient complained of a pinkish rubbery nodule on her lower lip. Histopathologic examination demonstrated a well-circumscribed nodule encapsulated by connective tissue stroma in the dermis. The nodule consisted of palisading spindle-shaped tumor cells with wavy and basophilic nuclei. The cells were arranged in streaming fascicles with multiple clefts and were strongly positive for S-100 proteins. To our knowledge, only three cases of palisading encapsulated neuroma on the lower lip have been reported in the Korean literature. Herein, we report a rare case of an oral palisaded encapsulated neuroma.
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http://dx.doi.org/10.12701/yujm.2021.01088DOI Listing
July 2021

Comparison of the Predictive Power of a Combination versus Individual Biomarker Testing in Non-Small Cell Lung Cancer Patients treated with immune checkpoint inhibitors.

Cancer Res Treat 2021 Jul 7. Epub 2021 Jul 7.

Department of Pathology; Seoul National University Bundang Hospital, Seongnam, Korea.

Purpose: Since tumor mutational burden (TMB) and gene expression profiling (GEP) have complementary effects, they may have improved predictive power when used in combination. Here, we investigated the ability of TMB and GEP to predict the immunotherapy response in patients with non-small cell lung cancer (NSCLC) and assessed if this combination can improve predictive power compared to that when used individually.

Materials And Methods: This retrospective cohort study included 30 patients with NSCLC who received immune checkpoint inhibitors (ICI) therapy at the Seoul National University Bundang Hospital. PD-L1 protein expression was assessed using immunohistochemistry, and TMB was measured by targeted deep sequencing. Gene expression was determined using NanoString® nCounter analysis for the PanCancer IO360 panel, and enrichment analysis were performed.

Results: Eleven (36.7%) patients showed a durable clinical benefit (DCB), whereas nineteen (63.3%) showed no durable benefit (NDB). TMB and enrichment scores (ES) showed significant differences between the DCB and NDB groups (p=0.044, 0.017, respectively); however, no significant correlations were observed among TMB, ES, and PD-L1. ES was the best single biomarker for predicting DCB (Area under the curve [AUC]=0.794), followed by TMB (AUC=0.679) and PD-L1 (AUC=0.622). TMB and ES showed the highest AUC (0.8373) among other combinations (AUC, TMB and PD-L1=0.7775; AUC, PD-L1 and ES=0.7632) and was similar to that of all biomarkers used together (0.8325).

Conclusion: The combination of TMB and ES may be an effective predictive tool to identify patients with NSCLC patients who would possibly benefit from ICI therapies.
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http://dx.doi.org/10.4143/crt.2021.583DOI Listing
July 2021

Programmed Death Ligand 1 Immunohistochemistry in Triple-Negative Breast Cancer: Evaluation of Inter-Pathologist Concordance and Inter-Assay Variability.

J Breast Cancer 2021 Jun 26;24(3):266-279. Epub 2021 May 26.

Department of Pathology, Seoul National University Bundang Hospital, Seoul National University College of Medicine, Seongnam, Korea.

Purpose: The programmed death ligand 1 (PD-L1) SP142 assay with a 1% immune cell (IC) cutoff is approved for the selection of advanced triple-negative breast cancer (TNBC) patients for atezolizumab treatment. We aimed to evaluate the interobserver concordance of PD-L1 scoring and inter-assay variability of various PD-L1 assays in TNBC.

Methods: Thirty patients with primary TNBC were selected, and SP142, SP263, 22C3, and E1L3N assays were performed. PD-L1 staining in ICs and tumor cells (TCs) was scored by 10 pathologists who were blinded to the assay. The interobserver concordance among pathologists and the inter-assay variability of the four PD-L1 assays were analyzed. For SP142, the intraobserver concordance among the six pathologists was analyzed after training.

Results: The adjusted means of PD-L1 IC scoring ranged from 6.2% to 12.9% for the four assays; the intraclass correlations showed moderate (0.584-0.649) reader concordance. The PD-L1 IC scoring with a 1% cutoff resulted in identical scoring in 40.0%-66.7% of cases and a poor to moderate agreement (Fleiss κ statistic [FKS] = 0.345-0.534) for the four assays. The SP142 assay had the widest range of positive rate (56.5%-100.0%), lowest number of cases with identical scoring, and lowest FKS at 1% cutoff. Pairwise comparison of adjusted means showed significantly decreased PD-L1 staining in SP142 compared with the other assays in both ICs and TCs. As for the intraobserver concordance in the SP142 assay, the overall percent agreement was 87.8% with a 1% IC cutoff. After training, the proportion of cases with identical scoring at a 1% IC cutoff increased to 70.0%; the FKS also increased to 0.610.

Conclusion: The concordance of PD-L1 IC scoring among pathologists was low, at the 1% cutoff for the SP142 assay without training. SP142 showed the lowest PD-L1 expression in both IC and TC.
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http://dx.doi.org/10.4048/jbc.2021.24.e29DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC8250096PMC
June 2021

High-Throughput Discovery of Ni(IN) for Ethane/Ethylene Separation.

Adv Sci (Weinh) 2021 Jun 1;8(11):e2004940. Epub 2021 Apr 1.

Department of Chemistry, Korea University, Seoul, 02841, Republic of Korea.

Although ethylene (C H ) is one of the most critical chemicals used as a feedstock in artificial plastic chemistry fields, it is challenging to obtain high-purity C H gas without any trace ethane (C H ) by the oil cracking process. Adsorptive separation using C H -selective adsorbents is beneficial because it directly produces high-purity C H in a single step. Herein, Ni(IN) (HIN = isonicotinic acid) is computationally discovered as a promising adsorbent with the assistance of the multiscale high-throughput computational screening workflow and Computation-Ready, Experimental (CoRE) metal-organic framework (MOF) 2019 database. Ni(IN) is subsequently synthesized and tested to show the ideal adsorbed solution theory (IAST) selectivity of 2.45 at 1 bar for a C H /C H mixture (1:15), which is one of the top-performing selectivity values reported for C H -selective MOFs as well as excellent recyclability, suggesting that this material is a promising C H -selective adsorbent. Process-level simulation results based on experimental isotherms demonstrate that the material is one of the top materials reported to date for ethane/ethylene separation under the conditions considered in this work.
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http://dx.doi.org/10.1002/advs.202004940DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC8188204PMC
June 2021

Ubiquitylation of MLKL at lysine 219 positively regulates necroptosis-induced tissue injury and pathogen clearance.

Nat Commun 2021 06 7;12(1):3364. Epub 2021 Jun 7.

The Breast Cancer Now Toby Robins Research Centre, The Institute of Cancer Research, London, UK.

Necroptosis is a lytic, inflammatory form of cell death that not only contributes to pathogen clearance but can also lead to disease pathogenesis. Necroptosis is triggered by RIPK3-mediated phosphorylation of MLKL, which is thought to initiate MLKL oligomerisation, membrane translocation and membrane rupture, although the precise mechanism is incompletely understood. Here, we show that K63-linked ubiquitin chains are attached to MLKL during necroptosis and that ubiquitylation of MLKL at K219 significantly contributes to the cytotoxic potential of phosphorylated MLKL. The K219R MLKL mutation protects animals from necroptosis-induced skin damage and renders cells resistant to pathogen-induced necroptosis. Mechanistically, we show that ubiquitylation of MLKL at K219 is required for higher-order assembly of MLKL at membranes, facilitating its rupture and necroptosis. We demonstrate that K219 ubiquitylation licenses MLKL activity to induce lytic cell death, suggesting that necroptotic clearance of pathogens as well as MLKL-dependent pathologies are influenced by the ubiquitin-signalling system.
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http://dx.doi.org/10.1038/s41467-021-23474-5DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC8184782PMC
June 2021

Sox11 regulates mammary tumour-initiating and metastatic capacity in Brca1-deficient mouse mammary tumour cells.

Dis Model Mech 2021 May 10;14(5). Epub 2021 May 10.

The Breast Cancer Now Toby Robins Research Centre, Division of Breast Cancer Research, The Institute of Cancer Research, London, SW3 6JB, UK.

Little is known about the role of Sox11 in the regulation of mammary progenitor cells. Sox11 is expressed by mammary bud epithelial cells during embryonic mammary gland development and is not detected in mammary epithelial cells after birth. As Sox11 is an oncofetal gene, we investigated the effects of reducing Sox11 levels in embryonic mammary progenitor cells and found that Sox11 regulates proliferative state, stem cell activity and lineage marker expression. We also investigated the effect of reducing Sox11 levels in two transplantable Brca1-deficient oestrogen receptor-negative mouse mammary tumour cell lines, to assess whether Sox11 regulates similar functions in tumour progenitor cells. When Sox11 levels were reduced in one Brca1-deficient mammary tumour cell line that expressed both epithelial and mesenchymal markers, similar effects on proliferation, stem cell activity and expression of lineage markers to those seen in the embryonic mammary progenitor cells were observed. Orthotopic grafting of mammary tumour cells with reduced Sox11 levels led to alterations in tumour-initiating capacity, latency, expression of lineage markers and metastatic burden. Our results support a model in which tumours expressing higher levels of Sox11 have more stem and tumour-initiating cells, and are less proliferative, whereas tumours expressing lower levels of Sox11 become more proliferative and capable of morphogenetic/metastatic growth, similar to what occurs during embryonic mammary developmental progression.
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http://dx.doi.org/10.1242/dmm.046037DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC8188883PMC
May 2021

Thermal Interface Enhancement via Inclusion of an Adhesive Layer Using Plasma-Enhanced Atomic Layer Deposition.

ACS Appl Mater Interfaces 2021 May 29;13(18):21905-21913. Epub 2021 Apr 29.

Department of Mechanical Engineering, Stanford University, Stanford, California 94305, United States.

Interfaces govern thermal transport in a variety of nanostructured systems such as FinFETs, interconnects, and vias. Thermal boundary resistances, however, critically depend on the choice of materials, nanomanufacturing processes and conditions, and the planarity of interfaces. In this work, we study the interfacial thermal transport between a nonreactive metal (Pt) and a dielectric by engineering two differing bonding characters: (i) the mechanical adhesion/van der Waals bonding offered by the physical vapor deposition (PVD) and (ii) the chemical bonding generated by plasma-enhanced atomic layer deposition (PEALD). We introduce 40-cycle (∼2 nm thick), nearly continuous PEALD Pt films between 98 nm PVD Pt and dielectric materials (8.0 nm TiO/Si and 11.0 nm AlO/Si) treated with either O or O + H plasma to modulate their bonding strengths. By correlating the treatments through thermal transport measurements using time-domain thermoreflectance (TDTR), we find that the thermal boundary resistances are consistently reduced with the same increased treatment complexity that has been demonstrated in the literature to enhance mechanical adhesion. For samples on TiO (AlO), reductions in thermal resistance are at least 4% (10%) compared to those with no PEALD Pt at all, but could be as large as 34% (42%) given measurement uncertainties that could be improved with thinner nucleation layers. We suspect the O plasma generates stronger covalent bonds to the substrate, while the H plasma strips the PEALD Pt of contaminants such as carbon that gives rise to a less thermally resistive heat conduction pathway.
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http://dx.doi.org/10.1021/acsami.0c19197DOI Listing
May 2021

Alitretinoin Compliance in Patients with Chronic Hand Eczema.

Ann Dermatol 2021 Feb 30;33(1):46-51. Epub 2020 Dec 30.

Department of Dermatology, Busan Paik Hospital, College of Medicine, Inje University, Busan, Korea.

Background: Oral alitretinoin is effective in the treatment of chronic hand eczema (CHE), and ≥12 weeks of alitretinoin treatment has been shown to be effective in Korean patients. However, in the real world, a considerable number of patients discontinue alitretinoin, which leads to treatment failure.

Objective: To evaluate the compliance rate of alitretinoin treatment and explore common reasons for poor compliance in patients with CHE in the real world.

Methods: We retrospectively reviewed the electronic medical records of CHE patients treated with alitretinoin. We defined 'poor-compliance' as subjects who were treated with alitretinoin for <12 weeks and 'good-compliance' as subjects who were treated with alitretinoin for ≥12 weeks. We reviewed the demographics, dose, and duration of alitretinoin usage, efficacy, and reasons for poor compliance.

Results: A total of 137 subjects were enrolled, and 77 (56.2%) did not complete the 12-week treatment with alitretinoin. Among them, the non-improvement rate was significantly higher in the poor-compliance group than in the good-compliance group (<0.01). The main reasons for the alitretinoin cessation in the poor-compliance group were insufficient response (40.8%), followed by high cost (34.7%), and adverse events (24.5%).

Conclusion: Alitretinoin appears the preferred long-term treatment option for CHE. Although there are complaints about late efficacy, cost, and side effects, following proper explanation, these should not justify discontinuation. Physicians need to recognize the reasons for poor compliance with alitretinoin for each patient and suggest continuing alitretinoin for the successful treatment of CHE.
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http://dx.doi.org/10.5021/ad.2021.33.1.46DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7875224PMC
February 2021

A Rare Case of Multiple Nevoid Hypertrichosis with Atrial Septal Defect.

Ann Dermatol 2020 Dec 11;32(6):531-533. Epub 2020 Nov 11.

Department of Dermatology, Busan Paik Hospital, College of Medicine, Inje University, Busan, Korea.

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http://dx.doi.org/10.5021/ad.2020.32.6.531DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7875243PMC
December 2020

Corrigendum: Analysis of Microscopic Examination of Pulled Out Hair in Telogen Effluvium Patients.

Ann Dermatol 2020 Jun 24;32(3):264. Epub 2020 Apr 24.

Department of Dermatology, Busan Paik Hospital, Inje University College of Medicine, Busan, Korea.

[This corrects the article on p. 141 in vol. 32.].
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http://dx.doi.org/10.5021/ad.2020.32.3.264DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7992620PMC
June 2020

Analysis of Microscopic Examination of Pulled Out Hair in Telogen Effluvium Patients.

Ann Dermatol 2020 Apr 11;32(2):141-145. Epub 2020 Mar 11.

Department of Dermatology, Busan Paik Hospital, Inje University College of Medicine, Busan, Korea.

Background: Telogen effluvium (TE) is characterized by massive hair shedding and results from an abrupt conversion of anagen to telogen. Differentiation of TE with other hair disorders showing massive hair shedding is difficult.

Objective: To evaluate the morphologic characteristics of pulled out hair of TE.

Methods: We analyzed microscopic examination of pulled out hairs by hair pull test in TE patients, and compared these hairs with pulled out hairs in diffuse alopecia areata (AA) patients and healthy volunteers.

Results: Hair microscopic examination in 44 TE patients (370 hairs) and 30 healthy volunteers (295 hairs) were as follows: typical club hair, 32.7%, 62.7%; club hair with tail, 23.5%, 23.7%; club hair with remnant sheath, 23.0%, 6.8%; club hair with both tail and remnant sheath, 18.9%, 5.4%; and unclassified hair, 1.9%, 1.4%. The examination in 7 diffuse AA patients (63 hairs) was as follows: typical club hair, 23.9%; atypical club hair, 47.7%; and distinctive AA hair, 28.4%. There was statistical difference between TE patients and healthy volunteers group (=0.000).

Conclusion: Increased atypical club hair in microscopic hair examination might be characteristics of TE.
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http://dx.doi.org/10.5021/ad.2020.32.2.141DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7992547PMC
April 2020

Validity of Diagnostic Codes for Identification of Psoriasis Patients in Korea.

Ann Dermatol 2020 Apr 11;32(2):115-121. Epub 2020 Mar 11.

Department of Dermatology, Ilsan Paik Hospital, Inje University College of Medicine, Goyang, Korea.

Background: Recently, the number of nationwide medical researches on psoriasis using the National Health Insurance Service database has been on the rise. However, identification of psoriasis using diagnostic codes alone can lead to misclassification. Accuracy of the diagnostic codes and their concordance with medical records should be validated first to identify psoriasis patients correctly.

Objective: To validate the diagnostic codes of psoriasis (International Classification of Diseases, 10th Revision L40) and to find the algorithm for the identification of psoriasis.

Methods: We collected medical records of patients who received their first diagnostic codes of psoriasis during 5 years from five hospitals. Fifteen percent of psoriasis patients were randomly selected from each hospital. We performed a validation by reviewing medical records and compared 5 algorithms to identify the best algorithm.

Results: Total of 538 cases were reviewed and classified as psoriasis (n=368), not psoriasis (n=159), and questionable (n=11). The most accurate algorithm was including patients with ≥1 visits with psoriasis as primary diagnostic codes and prescription of vitamin D derivatives. Its positive predictive value was 96.5% (95% confidence interval [CI], 93.9%~98.1%), which was significantly higher than those of the algorithm, including patients with ≥1 visits with psoriasis as primary diagnostic codes or including ≥1 visits with diagnostic codes of psoriasis (primary or additional) (91.0% and 69.8%). Sensitivity was 90.8% (95% CI, 87.2%~93.4%) and specificity was 92.5% (95% CI, 86.9%~95.9%).

Conclusion: Our study demonstrates a validated algorithm to identify psoriasis, which will be useful for the nationwide population-based study of psoriasis in Korea.
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http://dx.doi.org/10.5021/ad.2020.32.2.115DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7992553PMC
April 2020

Understanding Correlation Between CO Insertion Mechanism and Chain Length of Diamine in Metal-Organic Framework Adsorbents.

ChemSusChem 2021 Jun 2;14(11):2426-2433. Epub 2021 May 2.

Department of Chemistry, Korea University, Seoul, 136-713, Republic of Korea.

Although CO insertion is a predominant phenomenon in diamine-functionalized Mg (dobpdc) (dobpdc =4,4-dioxidobiphenyl-3,3'-dicarboxylate) adsorbents, a high-performance metal-organic framework for capturing CO , the fundamental function of the diamine carbon chain length in the mechanism remains unclear. Here, Mg (dobpdc) systems with open metal sites grafted by primary diamines NH -(CH ) -NH were developed, with en (n=2), pn (n=3), bn (n=4), pen (n=5), hn (n=6), and on (n=8). Based on CO adsorption and IR results, CO insertion is involved in frameworks with n=2 and 3 but not in systems with n≥5. According to NMR data, bn-appended Mg (dobpdc) exhibited three different chemical environments of carbamate units, attributed to different relative conformations of carbon chains upon CO insertion, as validated by first-principles density functional theory (DFT) calculations. For 1-hn and 1-on, DFT calculations indicated that diamine inter-coordinated open metal sites in adjacent chains bridged by carboxylates and phenoxides of dobpdc . Computed CO binding enthalpies for CO insertion (-27.8 kJ mol for 1-hn and -20.2 kJ mol for 1-on) were comparable to those for CO physisorption (-19.3 kJ mol for 1-hn and -20.8 kJ mol for 1-on). This suggests that CO insertion is likely to compete with CO physisorption on diamines of the framework when n≥5.
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http://dx.doi.org/10.1002/cssc.202100582DOI Listing
June 2021

Development of HIGH-INTENSITY FOCUSED ULTRASOUND(HIFU) Therapy in Inferior Turbinate Hypertrophy.

Clin Exp Otorhinolaryngol 2021 Mar 30. Epub 2021 Mar 30.

Department of Otorhinolaryngology- Head and Neck Surgery, Seoul National University Bundang Hospital, Seongnam, Korea.

Objectives: Inferior turbinate (IT) hypertrophy is the main cause of chronic nasal obstruction. We developed a high-intensity focused ultrasound (HIFU) ablation device to treat patients with IT hypertrophy.

Methods: First, computed tomography (CT) images of patients without any evidence of sinonasal disease were evaluated to measure and compared the IT, medial mucosal thickness (MT), and space between the nasal septum and IT according to clinical characteristics such as septal deviation. A HIFU prototype was developed based on human anatomical studies. The experimental study was performed in five pigs; the cross-sectional areas of the nasal cavity airway and histological changes at 1 and 4 weeks postoperatively were evaluated to compare the efficacy of HIFU turbinoplasty with that of radiofrequency turbinoplasty and control.

Results: The mean medial MT of the anterior, middle, and posterior portions of the IT were 4.66±1.14, 4.23±0.97, and 6.17±1.29 mm, respectively. The mean medial IT spaces was 2.65±0.79 mm. The diameter and focal depth of the prototype were 4 mm and 3 mm. HIFU showed no postoperative complications including bleeding or scar formation. After HIFU treatment, the cross-sectional area of the nasal airway increased by 196.62(7.8%) mm3 and 193.74(8.3%) mm3 at 1 week and 4 weeks, compared with the increase of 87.20(3.1%) mm3 and 213.81(9.0%) mm3, respectively, after radiofrequency therapy. Qualitative histologic analysis after radiofrequency turbinoplasty showed epithelial layer disruption at 1 week and increased fibrosis along with decreased glandular structure at 4 weeks. The HIFU group had an intact epithelial layer at 1 week postoperatively. However, significant differences were observed at 4 weeks, including increased fibrosis, and decreased glandular structure.

Conclusion: The efficacy and safety of HIFU turbinoplasty had been observed in an animal study. Our results warrant the need for further human clinical trials.
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http://dx.doi.org/10.21053/ceo.2020.02383DOI Listing
March 2021

Improved Protein-Ligand Binding Affinity Prediction with Structure-Based Deep Fusion Inference.

J Chem Inf Model 2021 04 23;61(4):1583-1592. Epub 2021 Mar 23.

Global Security Computing Applications Division, Lawrence Livermore National Laboratory, 7000 East Avenue, Livermore, California 94550, United States.

Predicting accurate protein-ligand binding affinities is an important task in drug discovery but remains a challenge even with computationally expensive biophysics-based energy scoring methods and state-of-the-art deep learning approaches. Despite the recent advances in the application of deep convolutional and graph neural network-based approaches, it remains unclear what the relative advantages of each approach are and how they compare with physics-based methodologies that have found more mainstream success in virtual screening pipelines. We present fusion models that combine features and inference from complementary representations to improve binding affinity prediction. This, to our knowledge, is the first comprehensive study that uses a common series of evaluations to directly compare the performance of three-dimensional (3D)-convolutional neural networks (3D-CNNs), spatial graph neural networks (SG-CNNs), and their fusion. We use temporal and structure-based splits to assess performance on novel protein targets. To test the practical applicability of our models, we examine their performance in cases that assume that the crystal structure is not available. In these cases, binding free energies are predicted using docking pose coordinates as the inputs to each model. In addition, we compare these deep learning approaches to predictions based on docking scores and molecular mechanic/generalized Born surface area (MM/GBSA) calculations. Our results show that the fusion models make more accurate predictions than their constituent neural network models as well as docking scoring and MM/GBSA rescoring, with the benefit of greater computational efficiency than the MM/GBSA method. Finally, we provide the code to reproduce our results and the parameter files of the trained models used in this work. The software is available as open source at https://github.com/llnl/fast. Model parameter files are available at ftp://gdo-bioinformatics.ucllnl.org/fast/pdbbind2016_model_checkpoints/.
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http://dx.doi.org/10.1021/acs.jcim.0c01306DOI Listing
April 2021

A Case of Heterotopic Ovarian Pregnancy after Fertilization: Early Diagnosis and Single-port Access Conservative Laparoscopic Treatment.

Gynecol Minim Invasive Ther 2021 Jan-Mar;10(1):57-60. Epub 2021 Jan 30.

Department of Obstetrics and Gynecology, Seoul National University Bundang Hospital, Seongnam, Korea.

Here, we reported the case of a 32-year-old pregnant woman who presented with sudden abdominal pain at 5 weeks of gestation and diagnosed as ruptured heterotopic ovarian pregnancy. She was conceived after fertilization. Right ovarian pregnancy was noticed, and we performed right ovarian wedge resection via single-port access laparoscopic surgery. Intrauterine pregnancy had remained intact, and she delivered a term baby. Rapid diagnosis in early gestation and minimally invasive laparoscopy resulted in a satisfactory pregnancy outcome without other complications. Single-port laparoscopic surgery can be feasible and appears to be a good first treatment option in a ruptured heterotopic ovarian pregnancy.
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http://dx.doi.org/10.4103/GMIT.GMIT_117_19DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7968596PMC
January 2021

Progression from Monoclonal gammopathy of undetermined significance of the immunoglobulin M class (IgM-MGUS) to Waldenstrom Macroglobulinemia is associated with an alteration in lipid metabolism.

Redox Biol 2021 05 4;41:101927. Epub 2021 Mar 4.

Division of Hematology and Internal Medicine, Mayo Clinic, Rochester, MN, USA. Electronic address:

The molecular events that modulate the progression of monoclonal gammopathy of undetermined significance of the immunoglobulin M class (IgM-MGUS) to Waldenstrom Macroglobulinemia (WM) are mostly unknown. We implemented comparative proteomics and metabolomics analyses on patient serum samples to identify differentially expressed molecules crucial to the progression from IgM-MGUS to WM. Our data identified altered lipid metabolism as a discriminating factor between MGUS, WM, and matched normal controls. Levels of many fatty acids, including polyunsaturated fatty acids and dicarboxylic acids, were significantly downregulated in WM sera when compared to MGUS. These reductions were associated with diminished 15-LOX and PPAR protein expression and increased 5-LOX and GPX4 expression in WM versus MGUS patients' samples. Furthermore, WM serum samples showed increased lipid peroxidation compared to MGUS. Treatment with IL-6 or TNFα, upstream regulators of differentially expressed proteins between MGUS and WM, increased lipid absorption and lipid peroxidation in WM cell lines. Knock-down of 15-LOX expression increased WM cell survival, an effect accompanied by increased 5-LOX and GPX4 expression. In summary, our data show that reduced fatty acid and lipid metabolite levels in the serum of the WM patients are associated with increased lipid peroxidation and that downregulation of 15-LOX increases the survival of WM cells. These data are highly significant in identifying the biomarkers of disease progression and designing targeted therapeutic intervention.
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http://dx.doi.org/10.1016/j.redox.2021.101927DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7941163PMC
May 2021

Approaching precision medicine by tailoring the microbiota.

Mamm Genome 2021 08 1;32(4):206-222. Epub 2021 Mar 1.

Department of Precision Medicine, School of Medicine, Sungkyunkwan University (SKKU), Suwon, 16419, Republic of Korea.

Accumulating evidence has revealed the link between the microbiota and various human diseases. Advances in high-throughput sequencing technologies have identified some consistent disease-associated microbial features, leading to the emerging concept of microbiome-based therapeutics. However, it is also becoming clear that there are considerable variations in the microbiota among patients with the same disease. Variations in the microbial composition and function contribute to substantial differences in metabolic status of the host via production of a myriad of biochemically and functionally different microbial metabolites. Indeed, compelling evidence indicates that individuality of the microbiome may result in individualized responses to microbiome-based therapeutics and other interventions. Mechanistic understanding of the role of the microbiota in diseases and drug metabolism would help us to identify causal relationships and thus guide the development of microbiome-based precision or personalized medicine. In this review, we provide an overview of current efforts to use microbiome-based interventions for the treatment of diseases such as cancer, neurological disorders, and diabetes to approach precision medicine.
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http://dx.doi.org/10.1007/s00335-021-09859-3DOI Listing
August 2021

The complete chloroplast genome of (Araceae).

Mitochondrial DNA B Resour 2020 Jul 25;5(3):2994-2995. Epub 2020 Jul 25.

Genome Analysis Center at National Instrumentation Center for Environmental Management, Seoul National University, Seoul, Korea.

The complete chloroplast genome sequence of , a species of the Araceae family, was characterized from the assembly of HiSeq (Illumina Co.) paired-end sequencing data. The chloroplast genome of was 165,289 bp in length, with a large single-copy (LSC) region of 91,747 bp, a small single-copy (SSC) region of 22,550 bp, and a pair of identical inverted repeat regions (IRs) of 25,496 bp. The genome contained a total of 132 genes, including 86 protein-coding genes, 38 transfer RNA (tRNA) genes, and 8 ribosomal RNA (rRNA) genes. The phylogenetic analysis of with 12 related species revealed the closest taxonomical relationship with in the .
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http://dx.doi.org/10.1080/23802359.2020.1797571DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7782031PMC
July 2020

The complete chloroplast genome of (Menispermaceae).

Mitochondrial DNA B Resour 2020 Jul 25;5(3):2992-2993. Epub 2020 Jul 25.

Genome Analysis Center at National Instrumentation Center for Environmental Management, Seoul National University, Seoul, Korea.

We generated the complete chloroplast genome sequence of , a species of the Menispermaceae family, and characterized from the assembly of Illumina HiSeq paired-end sequencing data. The total length of the chloroplast genome of was 162,787 bp with a large single-copy (LSC) region of 91,430 bp, a small single-copy (SSC) region of 21,245 bp, and a pair of identical inverted repeat regions (IRs) of 25,056 bp. The total of 131 genes were annotated in the chloroplast genome of , including 85 protein-coding genes, 38 transfer RNA (tRNA) genes, and 8 ribosomal RNA (rRNA) genes. The phylogenetic analysis of with 18 related species revealed the closest taxonomical relationship with in the family.
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http://dx.doi.org/10.1080/23802359.2020.1797570DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7783043PMC
July 2020

Emerging Porous Materials and Their Composites for NH Gas Removal.

Adv Sci (Weinh) 2020 Dec 1;7(24):2002142. Epub 2020 Nov 1.

Department of Chemistry Korea University Seoul 02841 Republic of Korea.

NH, essential for producing artificial fertilizers and several military and commercial products, is being produced at a large scale to satisfy increasing demands. The inevitable leakage of NH during its utilization, even in trace concentrations, poses significant environmental and health risks because of its highly toxic and reactive nature. Although numerous techniques have been developed for the removal of atmospheric NH, conventional NH abatement systems possess the disadvantages of high maintenance cost, low selectivity, and emission of secondary wastes. In this context, highly tunable porous materials such as metal-organic frameworks, covalent organic frameworks, hydrogen organic frameworks, porous organic polymers, and their composite materials have emerged as next-generation NH adsorbents. Herein, recent progress in the development of porous NH adsorbents is summarized; furthermore, factors affecting NH capture are analyzed to provide a reasonable strategy for the design and synthesis of promising materials for NH abatement.
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http://dx.doi.org/10.1002/advs.202002142DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7740097PMC
December 2020

Real-Time Light-Guided Vocal Fold Injection: An In Vivo Feasibility Study in a Canine Model.

Clin Exp Otorhinolaryngol 2021 Aug 4;14(3):338-346. Epub 2020 Dec 4.

Department of Otorhinolaryngology-Head and Neck Surgery, Seoul National University Bundang Hospital, Seoul National University College of Medicine, Seongnam, Korea.

Objectives: The transcutaneous approach is a good option for office-based vocal fold injection (VFI). However, precise localization requires extensive experience because the needle tip is invisible in small and complex laryngeal spaces. Recently, real-time light-guided VFI (RL-VFI) was proposed as a new technique that allows simultaneous injection under precise needle localization by light guidance. Herein, we aimed to verify the feasibility of RL-VFI in an in vivo canine model and explored its clinical usefulness.

Methods: The device for RL-VFI comprised a light source (light-emitting diode modules [10 W] of red color [650 nm]) and injectors (1.5 inches, 23 gauge). An adult male beagle was used for the experiment. After tracheostomy, a rigid laryngoscope was inserted and suspended to expose the larynx. A flexible naso-laryngoscopy system was used to visualize the vocal folds.

Results: RL-VFI was performed using various transcutaneous approaches, including the cricothyroid, transthyroid, and transhyoid approaches. Light guidance helped identify the path of the needle and prevent inadvertent penetration. The location of the needle tip was accurately indicated by the light. The illuminated needle could be easily placed at the intended points in the vocal fold with real-time visual-motor feedback. Hyaluronic acid could be simultaneously injected lateral to the vocal process under light guidance without manipulation of the device.

Conclusion: RL-VFI was found to be safe and feasible in an in vivo canine model, providing precise localization and visualmotor feedback. The clinical application of RL-VFI is expected to improve the safety and precision of VFI.
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http://dx.doi.org/10.21053/ceo.2020.02180DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC8373830PMC
August 2021

PAExM: label-free hyper-resolution photoacoustic expansion microscopy.

Opt Lett 2020 Dec;45(24):6755-6758

Reflection-mode ultraviolet photoacoustic microscopy (UV-PAM) is capable of imaging cell nuclei in thick tissue without complex preparation procedures, but it is challenging to distinguish adjacent nuclei due to the limited spatial resolution. Tissue expansion technology has recently been developed to exceed the diffraction-limited fluorescence microscopies, but it is accompanied by limitations including additional staining. Herein, photoacoustic expansion microscopy (PAExM) is presented, which is an advanced histologic imaging strategy combining advantages of fast label-free reflection-mode UV-PAM and the tissue expansion technology. Clustered cell nuclei in an enlarged volume of a mouse brain section can be visually resolved without staining, demonstrating a great potential of the system to be widely used for histologic applications throughout biomedical fields.
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http://dx.doi.org/10.1364/OL.404041DOI Listing
December 2020

Aztreonam plus ceftazidime-avibactam as treatment of NDM-1-producing Klebsiella pneumoniae bacteraemia in a neutropenic patient: Last resort therapy?

J Glob Antimicrob Resist 2020 12 16;23:417-419. Epub 2020 Nov 16.

Hospital Universitario "Dr. José Eleuterio González", Universidad Autónoma de Nuevo León, Madero y Gonzalitos s/n, Colonia Mitras Centro, Monterrey, Nuevo León C.P. 64460, Mexico. Electronic address:

Objectives: We report the successful treatment of a bloodstream infection caused by Klebsiella pneumoniae harbouring NDM-1 using aztreonam-ceftazidime-avibactam in a neutropenic patient in whom colistin and meropenem therapy had previously failed.

Methods: A clinical isolate was evaluated to determine the presence of NDM, TEM, SHV, CTX, and CMY, and the killing kinetics of aztreonam (ATM; 4 μg/mL), aztreonam-avibactam (ATM-AVI; 4/4 μg/mL), and colistin (2 and 4 μg/mL) were tested.

Results: ATM-AVI showed in vitro activity against the Klebsiella pneumoniae harbouring NDM-1, whereas colistin allowed re-growth.

Conclusions: This report supports reconsideration of use of colistin for treatment of infections caused by K. pneumoniae harbouring NDM. CZA/ATM use should be kept in mind as a treatment option, perhaps earlier than colistin.
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http://dx.doi.org/10.1016/j.jgar.2020.10.019DOI Listing
December 2020

Tumor spread through air spaces (STAS): prognostic significance of grading in non-small cell lung cancer.

Mod Pathol 2021 03 16;34(3):549-561. Epub 2020 Nov 16.

Department of Pathology and Translational Medicine, Seoul National University Bundang Hospital, Seongnam, Republic of Korea.

Tumor spread through air spaces (STAS) is an invasive pattern of lung cancer that was recently described. In this study, we investigated the association between the extent of STAS and clinicopathological characteristics and patient outcomes in resected non-small cell lung cancers (NSCLCs). STAS has been prospectively described from 2008 and graded its extent with a two-tiered system (STAS I: <2500 μm [one field of ×10 objective lens] from the edge of tumor and STAS II: ≥2500 μm from the edge of tumor) from 2011 in Seoul National University Bundang Hospital. We retrospectively analyzed the correlations between the extent of STAS and clinicopathologic characteristics and prognostic significance in 1869 resected NSCLCs. STAS was observed in 765 cases (40.9%) with 456 STAS I (24.4%) and 309 STAS II (16.5%). STAS was more frequently found in patients with adenocarcinoma (ADC) (than squamous cell carcinoma), pleural invasion, lymphovascular invasion, and/or higher pathologic stage. In ADC, there were significant differences in recurrence free survival (RFS), overall survival (OS), and lung cancer specific survival (LCSS) according to the extent of STAS. In stage IA non-mucinous ADC, multivariate analysis revealed that STAS II was significantly associated with shorter RFS and LCSS (p < 0.001 and p = 0.006, respectively). In addition, STAS II was an independent poor prognostic factor for recurrence in both limited and radical resection groups (p = 0.001 and p = 0.023, respectively). In conclusion, presence of STAS II was an independent poor prognostic factor in stage IA non-mucinous ADC regardless of the extent of resection.
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http://dx.doi.org/10.1038/s41379-020-00709-2DOI Listing
March 2021
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