Miracle-dz/UniFAR-FTUs huggingface dataset:
Investigation of molecular junctions with inelastic electron tunneling spectroscopy

ABSTRACT Molecular junctions in which individual molecules are utilized as active electronic components constitute a promising approach for the ultimate miniaturization and integration of electronic devices through the bottom-up strategy. A study on charge transport through the constituent molecules attached to two metallic electrodes is a very challenging task, but advances have been made in recent years. Especially, inelastic electron tunneling spectroscopy (IETS) has recently become a premier analytical tool for investigating nanoscale molecular junctions. The IETS spectrum provides invaluable information about the correlation between charge carriers and molecular vibrations in the junctions. This review discusses how IETS is used to investigate molecular junctions and presents an overview of recent experimental and theoretical studies.
The Impact of Disturbed Soil Structure on the Degradation of 2 Fungicides Under Constant and Variable Moisture

Degradation of agrochemicals in soil is frequently faster under field conditions than in laboratory studies. Field studies are carried out on relatively undisturbed soil, whereas laboratory studies typically use sieved soil, which can have a significant impact on the physical and microbial nature of the soil and may contribute to differences in degradation between laboratory and field studies. A laboratory study was therefore conducted to determine the importance of soil structure and variable soil moisture on the degradation of 2 fungicides (azoxystrobin and paclobutrazol) that show significant differences between laboratory and field degradation rates in regulatory studies. Degradation rates were measured in undisturbed cores of a sandy clay loam soil (under constant or variable moisture contents) and in sieved soil. For azoxystrobin, degradation rates under all conditions were similar (median degradation time [DegT50] 34–37 d). However, for paclobutrazol, degradation was significantly faster in undisturbed cores (DegT50 255 d in sieved soil and 63 d in undisturbed cores). Varying the moisture content did not further enhance degradation of either fungicide. Further examination into the impact of soil structure on paclobutrazol degradation, comparing undisturbed and sieved/repacked cores, revealed that the impact of sieving could not be mitigated by repacking the soil to a realistic bulk density. Examination of fungal and bacterial community structure using automated ribosomal spacer analysis showed significant initial differences between sieved/repacked and intact soil cores, although such differences were reduced at the end of the study (70 d). The present study demonstrates that disruption of soil structure significantly impacts microbial community structure, and for some compounds this may explain the differences between laboratory and field degradation rates. Environ Toxicol Chem 2021;40:2715–2725. © 2021 SETAC
Pathogen‐induced inflammation is attenuated by the iminosugar MON‐DNJ via modulation of the unfolded protein response

Sepsis is a life‐threatening condition involving a dysregulated immune response to infectious agents that cause injury to host tissues and organs. Current treatments are limited to early administration of antibiotics and supportive care. While appealing, the strategy of targeted inhibition of individual molecules in the inflammatory cascade has not proved beneficial. Non‐targeted, systemic immunosuppression with steroids has shown limited efficacy and raises concern for secondary infection. Iminosugars are a class of small molecule glycomimetics with distinct inhibition profiles for glycan processing enzymes based on stereochemistry. Inhibition of host endoplasmic reticulum resident glycoprotein processing enzymes has demonstrated efficacy as a broad‐spectrum antiviral strategy, but limited consideration has been given to the effects on host glycoprotein production and consequent disruption of signalling cascades. This work demonstrates that iminosugars inhibit dengue virus, bacterial lipopolysaccharide and fungal antigen‐stimulated cytokine responses in human macrophages. In spite of decreased inflammatory mediator production, viral replication is suppressed in the presence of iminosugar. Transcriptome analysis reveals the key interaction of pathogen‐induced endoplasmic reticulum stress, the resulting unfolded protein response and inflammation. Our work shows that iminosugars modulate these interactions. Based on these findings, we propose a new therapeutic role for iminosugars as treatment for sepsis‐related inflammatory disorders associated with excess cytokine secretion.
Development of magnetism-assisted in-tube solid phase microextraction of phenolic acids in fruit juices prior to HPLC quantification.

Magnetism-assisted in-tube solid phase microextraction based on porous monolith mingled with Fe3 O4 nanoparticles was developed for capture of phenolic acids in fruit juices. First, poly (1-allyl-3-methylimidazolium bis [(trifluoro methyl) sulfonyl] imide-co-ethylene dimethacrylate) monolith embedded with Fe3 O4 nanoparticles was facile fabrication in a capillary and employed as microextraction column. Subsequently, a magnetic coil adopted to produce variable magnetic fields during extraction stage was twined on the microextraction column. The analytes contents in eluant were quantified by high performance liquid chromatogram with diode array detector. Various parameters affecting the extraction performance were inspected and optimized in detail. Results revealed that the exertion of magnetic fields in adsorption and desorption steps enhanced the extraction efficiencies of analytes from 44.9-64.0% to 78.6-87.1%. Under the optimal extraction factors, the limits of detection were between 0.012 μg/L and 0.061 μg/L, relative standard deviations for precision in terms of intra- and inter-day assay variability ranged from 1.9% to 9.8%. The introduced approach was successfully applied to simultaneously quantify the contents of five analytes in real fruit juices with satisfying fortified recoveries (80.1-116%). The obtained results well demonstrate the promising potential of the developed method in the highly sensitive quantification of trace phenolic acids in complex samples. This article is protected by copyright. All rights reserved.
Perioperative Glucocorticoids in Patients With Rheumatoid Arthritis Having Total Joint Replacements: Help or Harm?

The optimal strategy for perioperative glucocorticoid (GC) management in patients with rheumatoid arthritis (RA) on chronic GCs is unknown. Although there is a concern for hypotension if inadequate doses are used, higher GC exposure may increase perioperative complications. We aimed to investigate the relationships between perioperative GCs with hemodynamic instability and short‐term postoperative complications following total hip arthroplasty (THA) and total knee arthroplasty (TKA) in patients with RA.
Detection of human white matter activation and evaluation of its function in movement decoding using stereo-electroencephalography (SEEG)

Objective. White matter tissue takes up approximately 50% of the human brain volume and it is widely known as a messenger conducting information between areas of the central nervous system. However, the characteristics of white matter neural activity and whether white matter neural recordings can contribute to movement decoding are often ignored and still remain largely unknown. In this work, we make quantitative analyses to investigate these two important questions using invasive neural recordings. Approach. We recorded stereo-electroencephalography (SEEG) data from 32 human subjects during a visually-cued motor task, where SEEG recordings can tap into gray and white matter electrical activity simultaneously. Using the proximal tissue density method, we identified the location (i.e. gray or white matter) of each SEEG contact. Focusing on alpha oscillatory and high gamma activities, we compared the activation patterns between gray matter and white matter. Then, we evaluated the performance of such white matter activation in movement decoding. Main results. The results show that white matter also presents activation under the task, in a similar way with the gray matter but at a significantly lower amplitude. Additionally, this work also demonstrates that combing white matter neural activities together with that of gray matter significantly promotes the movement decoding accuracy than using gray matter signals only. Significance. Taking advantage of SEEG recordings from a large number of subjects, we reveal the response characteristics of white matter neural signals under the task and demonstrate its enhancing function in movement decoding. This study highlights the importance of taking white matter activities into consideration in further scientific research and translational applications.
A Systematic Review of Workplace-Based Employee Health Interventions and Their Impact on Sleep Duration Among Shift Workers

Background: Shift work is associated with long-term health risks. Workplace-based health interventions hold promise for improving or maintaining the health of shift workers; yet, the impact of workplace-based interventions on shift worker sleep duration has not been assessed. We conducted a systematic review of workplace interventions on shift worker sleep. Methods: We conducted searches in PubMed, Web of Knowledge, EMBASE, Scopus, and PsycINFO (n = 6,868 records) of all studies published through May 15, 2019. Eligibility criteria included the following: (a) individuals aged ≥18 years; (b) a workplace-based employee intervention; (c) an employee population comprised predominantly of shift workers (>50%); and (d) sleep duration as a study outcome. Findings: Twenty workplace interventions met eligibility criteria. Mean intervention duration was 125 (SD = 187) days and mean sample size was 116 employees (SD = 256) with a mean age of 36.4 years (SD = 6.5). Interventions most commonly focused on light exposure (25%) or shift timing (25%), followed by sleep hygiene (20%). Most interventions were conducted in the health care and social assistance sector (60%). Study quality on average was 64% (SD = 7%). A majority of the studies found that a workplace-based health intervention was associated with a desirable increase in 24-hour total sleep duration (55%). The overall average increase in daily employee sleep duration achieved by interventions ranged for RCT studies from 0.34 to 0.99 hours and for non-RCT studies from 0.02 to 1.15 hours. Conclusions/Applications to Practice: More than half of the employee health interventions, especially yoga or mindfulness interventions, resulted in a desirable increase in sleep duration. Workplaces hold promise as an avenue? for delivering programs and policies that aim to improve sleep duration among shift workers.
Facial emotion training as an intervention in autism spectrum disorder: A meta‐analysis of randomized controlled trials

A large number of computer‐based training programs have been developed as an intervention to help individuals with autism spectrum disorders (ASD) improve their facial emotion recognition ability, as well as social skills. However, it is unclear to what extent these facial emotion training programs can produce beneficial, long‐lasting, and generalizable results. Using standard meta‐analytic techniques, we investigated the effects of facial emotion training including generalization and maintenance restricted to randomized control trial studies comprising a total of 595 individuals with ASD. Our findings revealed that the intervention resulted in a robust improvement in emotion recognition for individuals receiving training compared with controls. However, while there was also some evidence for generalization of training effects, the small number of studies which conducted follow‐ups and assessed social skills reported that improvements were not maintained and there was no evidence for general improvement in social skills. Overall, the analysis revealed a medium effect size in training improvement indicating that facial emotion training may be an effective method for enhancing emotion recognition skills in ASD although more studies are required to assess maintenance of effects and possible general improvements in social skills.
Thyroglobulin/thyrotropin ratio for predicting long-term response in differentiated thyroid carcinoma: a retrospective study

ABSTRACT Objective: Thyrotropin-stimulated thyroglobulin (STg) after total thyroidectomy is a prognosis marker for differentiated thyroid carcinoma (DTC). As Tg level is influenced by thyrotropin (TSH), perhaps the STg/TSH ratio is also a prognosis marker for these tumours. We aimed to compare STg/TSH ratio and first STg level in differentiated thyroid carcinoma patients for their ability to predict the long-term response to initial treatment. Subjects and methods: This retrospective study evaluated data from 181 DTC patients for first (1st) STg and STg/TSH ratio, at 1-3 months post-total thyroidectomy and before iodine-131 therapy, according to response to initial therapy [Excellent/Indeterminate or Incomplete (Biochemical/Structural)] observed at final evaluation, and with the survival time with excellent/indeterminate response. Results: Cases with incomplete response presented higher STg level [225.13 ± 585.26 ng/mL versus (vs) 20.4 ± 192.9 ng/mL; p < 0.001] and STg/TSH ratio (3.01 ± 7.8 vs 0.27 ± 2.58; p < 0.001). Cutoffs of 5 ng/mL for STg and 0.085 for STg/TSH displayed sensitivities of 76.7% and 76.9%, and specificities of 79.2% and 82.6%, respectively, in predicting response to therapy. Values below these cutoffs were associated with longer survival time in excellent/indeterminate response (140.4 vs 15.9 and 144.6 vs 15.9 months, respectively). Conclusion: STg/TSH ratio has a similar performance to the 1st STg in predicting long-term response to initial therapy.
Quantification of increased MUC5AC expression in airway mucus of smoker using an automated image‐based approach

Microscopic analysis of mucus quantity and composition is crucial in research and diagnostics on muco‐obstructive diseases. Currently used image‐based methods are unable to extract concrete numeric values of mucosal proteins, especially on the expression of the key mucosal proteins MUC5AC and MUC5B. Since their levels increase under pathologic conditions such as extensive exposure to cigarette smoke, it is imperative to quantify them to improve treatment strategies of pulmonary diseases. This study presents a simple, image‐based, and high‐processing computational method that allows determining the ratio of MUC5AC and MUC5B within the overall airway mucus while providing information on their spatial distribution. The presented pipeline was optimized for automated downstream analysis using a combination of bright field and immunofluorescence imaging suitable for tracheal and bronchial tissue samples, and air–liquid interface (ALI) cell cultures. To validate our approach, we compared tracheal tissue and ALI cell cultures of isolated primary normal human bronchial epithelial cells derived from smokers and nonsmokers. Our data indicated 18‐fold higher levels of MUC5AC in submucosal glands of smokers covering about 8% of mucosal areas compared to <1% in nonsmoking individuals, confirming results of previous studies. We further identified a subpopulation of nonsmokers with slightly elevated glandular MUC5AC levels suggesting moderate exposure to second‐hand smoke or fine particulate air pollution. Overall, this study demonstrates a novel, user‐friendly and freely available tool for digital pathology and the analysis of therapeutic interventions tested in ALI cell cultures.
Cortical and white matter correlates of language‐learning aptitudes

People learn new languages with varying degrees of success but what are the neuroanatomical correlates of the difference in language‐learning aptitude? In this study, we set out to investigate how differences in cortical morphology and white matter microstructure correlate with aptitudes for vocabulary learning, phonetic memory, and grammatical inferencing as measured by the first‐language neutral LLAMA test battery. We used ultra‐high field (7T) magnetic resonance imaging to estimate the cortical thickness and surface area from sub‐millimeter resolved image volumes. Further, diffusion kurtosis imaging was used to map diffusion properties related to the tissue microstructure from known language‐related white matter tracts. We found a correlation between cortical surface area in the left posterior‐inferior precuneus and vocabulary learning aptitude, possibly indicating a greater predisposition for storing word‐figure associations. Moreover, we report negative correlations between scores for phonetic memory and axial kurtosis in left arcuate fasciculus as well as mean kurtosis, axial kurtosis, and radial kurtosis of the left superior longitudinal fasciculus III, which are tracts connecting cortical areas important for phonological working memory.
Interracial Comparisons of Intimate Partner Violence Among Military Perpetrators

Interracial violence is a high-profile issue in the United States; however, there is little empirical research on interracial intimate partner violence (IPV). Interracial relationships are becoming more common. However, interracial couples continue to face stressors (e.g., discrimination) that likely impact the relationship (e.g., IPV) than their monoracial counterparts. Research indicates that military populations more likely oppose interracial marriages than nonmilitary counterparts. Yet, no study to date has investigated IPV within military monoracial and interracial couples. To understand the intersecting effects of race/ethnicity among military couples, this study investigates male perpetrated IPV in interracial and monoracial relationships. Using structural equation modeling, this study sample contains information about 449 male veterans from the National Longitudinal Study of Adolescent to Adult Health (1994-2008): Waves I and IV. Findings indicate that (a) White and Black veterans are more violent in monoracial relationships, meanwhile, Latino veterans have a higher IPV prevalence in interracial relationships; (b) Black and White veterans were more likely to use alcohol and other drugs (AOD) after IPV perpetration in interracial relationships, in contrast to Latino veterans’ post IPV perpetrations AOD use in monoracial relationships; (c) veteran mental health status was affected after perpetration of IPV, similar to the effects experienced after combat. In an attempt to address the lack of research on the characteristics associated with interracial violence this study addresses the following questions: (a) Are veterans in interracial families more likely to commit IPV and use of alcohol and other drugs (AOD) than in monoracial families? (b) Among the military samples, is AOD a facilitator for IPV? (c) How does mental health status affect IPV perpetration?
A fecalith mimicking a bladder calculus secondary to an appendicovesical fistula: a case report

An appendicovesical fistula is defined as an abnormal communication between the appendix and the urinary bladder, with only a few cases reported in the literature. It is very challenging to make an early diagnosis, due to the inability of conventional imaging modalities to detect this unique pathology. The symptoms are often mild, and there are not any specific signs or symptoms that might suggest this type of anomalous communication. We report a case of a 27-year-old male patient who presented difficulty for initiating urination, dysuria, and persistent urinary tract infections. An abdominal x-ray showed a large calculus inside the bladder. A cystoscopy was performed, where the tip of the appendix was seen protruding inside the bladder with a large fecalith adhered to the bladder wall. An appendectomy and partial cystectomy with primary repair were auspiciously achieved. A review of the literature is also presented.
Photocrosslinking O‐GlcNAcylated Proteins to Neighboring Biomolecules

This protocol enables identification of the interaction partners of O‐GlcNAcylated proteins. The method involves the introduction of the diazirine photocrosslinker onto the O‐GlcNAc modification within living cells. The photocrosslinker is activated by UV light to yield covalent crosslinking between O‐GlcNAcylated proteins and neighboring molecules. The binding partners can be further characterized by immunoblot or proteomics mass spectrometry methods. The benefits of using the photocrosslinker include the capacity to trap low‐affinity binding interactions and the ability to selectively target the interaction partners of the O‐GlcNAcylated form of the protein of interest. © 2021 Wiley Periodicals LLC.
Update on the Long-Term Outcomes Following the Management of Incomplete Punctal Canalization

Purpose: To study the clinical profile, associated lacrimal disorders, and long-term outcomes following a membranotomy, in patients with incomplete punctal canalization (IPC). Methods: Retrospective interventional study was performed of all the patients diagnosed with IPC during the study period over 5 years from January 2015 to December 2020. The diagnosis of IPC was made based on the earlier published guidelines. A combination of rapid and slow taper Nettleship’s punctal dilators were used for an effective membranotomy, followed by further assessment of the lacrimal drainage passage. Appropriate interventions for associated lacrimal disorders were performed. Data collected on chart reviews include demographics, clinical presentation, laterality, type of IPC, associated lacrimal anomalies, management modalities, and long-term outcomes. Results: Ninety-eight puncta of 62 eyes of 46 patients with IPC were examined in the clinic. Incomplete punctal canalization-external membrane variant was seen in 62% (61/98) and internal membrane variant in 38% (37/98). Seventy-eight puncta (78/98, 79.5%) in 39 patients underwent membranotomy using Nettleship’s punctal dilator. Associated lacrimal drainage pathway deformities were seen in 31% of patients (12/39). Three puncta had mini-monoka insertion for associated canalicular stenosis and canalicular obstruction. Five patients with associated congenital nasolacrimal duct obstruction underwent probing, of which 3 patients needed dacryocystorhinostomy for complex congenital nasolacrimal duct obstruction. Associated punctal agenesis was noted in 3 patients involving the other punctum of the same eye. Canalicular wall hypoplasia involving 3 walls of the canaliculus was seen in 1 patient. At a mean follow up of 28 months, the anatomical and functional outcomes were noted in 100% and 97.4%, respectively. Conclusions: The long-term outcomes of membranotomy for IPC are excellent. Associated congenital lacrimal drainage anomalies are common with IPC. The long-term outcomes of membranotomy are excellent in patients with incomplete punctal canalization.