bluuebunny/crossref_metadata_2025 huggingface dataset:
Lower bound of structural damage to achieve practical identifiability of nonlinear models in seismic structural health monitoring
Authors: Hernandez Eric M. , Erazo Kalil
Published: September 2023

This paper examines the effect of structural damage on the practical/computational identifiability of the parameters that define nonlinear models of building structures subjected to earthquake‐induced base motions. The objective is to determine the level of physical damage expected to successfully estimate the nonlinear parameters of restoring force models. For this purpose, the analyses aim to determine if the parameters that define a hysteretic (Bouc‐Wen type) model can be identified within a predefined level of accuracy from accelerations measured during seismic events that cause minor damage. The identified model is then interrogated to determine if it can provide accurate predictions of the response and damage level experienced during strong ground motions that cause moderate‐to‐severe damage. The damage model adopted is a Park–Ang type model and the unscented Kalman filter is used for parameter estimation. The results are verified using simulated two‐dimensional building models and validated using experimental data from a large‐scale shake table test.
Oil sands in glacial till as a driver of fast flow and instability in the former Laurentide Ice Sheet: Alberta, Canada
Authors: McCerery Rebecca , Woodward John , Winter Kate , Esegbue Onoriode , Jones Martin , McHale Glen
Published: September 2023

Reconstructions of the southwestern Laurentide Ice Sheet (LIS) from geomorphology have revealed complex cross‐cutting ice streams, indicative of surging and flow switching. This flow pattern and behaviour is distinct from the rest of the ice sheet where ice streams flowed radially to the ice sheet margin. Many ice streams in the southwestern sector originate around the Alberta Oil Sands (AOS). Previous reports have detected oil sands material in surficial and glacial sediments south of the AOS, demonstrating potential glacial mobilisation of the oil sands. In this study, we use geochemical fingerprinting to systematically investigate surficial sediments from the former Central Alberta Ice Stream (CAIS) flow track. We compare the geochemical signatures of 82 sediments from within and outside the CAIS limits with those of the AOS (from mines and natural exposures), using gas chromatography–mass spectrometry oil–oil correlation techniques. Our results provide geochemical evidence of glacial erosion and long‐distance mobilisation of AOS producing contamination signatures in sediments throughout the CAIS flow track. The strength of the AOS signature is particularly strong in sediments along the terminating margins, to the east of Calgary and in the Cooking Lake area to the southeast of Edmonton. These results inform theoretical models of enhanced slipperiness, inspired by slippery liquid infused porous surfaces (SLIPS), whereby oil lubrication of the basal sediment influences the degree of sliding and basal deformation in the ice stream. We hypothesise that naturally occurring hydrocarbons at the basal interface exerted control on the location of the onset zone of the CAIS and surrounding ice streams in Alberta. The enhanced slipperiness caused by oil contamination may also explain ice streaming and surging in other ice sheets, such as the Barents Sea Ice Sheet, where hydrocarbons are known to have been driven to the sedimentary interface during glaciation.
Exploration of nutritional, pharmacological, and the processing trends for valorization of finger millet (Eleusine coracana): A review
Authors: Kalsi Rhythm , Bhasin Jasleen , Goksen Gulden , Kashyap Piyush
Published: September 2023

High nutrient variability and food security are the needs of the hour. Millets may be as effective as other cereal crops for dealing with severe malnutrition and increasing global population problems. Due to their physiologically active components, millets have attracted more research interest. Finger millet (FM), one of the climate‐resilient and minor cereal crop species, is well known for several health benefits, primarily attributed to its nutritional value and polyphenolic content. FM seed coat phenolics exhibit excellent anti‐diabetic, anti‐oxidant, antimicrobial, anti‐osteoporosis, wound healing, anti‐lithiatic, inhibiting collagen glycation, cross‐linking, and enzyme properties, which may serve well for the pharmacological purposes. Furthermore, the processing of FM is an important factor in its commercial use. It is necessary to invent some novel technologies to increase the productivity of FM by lowering the cost of processing and its effective utilization in the pharmaceutical and food industries. The literature presented will further explore the potential prospects of processing as well as value‐added utilization and its nutritional and pharmacological aspects in view of initiating further research in the food industry to formulate ready‐to‐eat and ready‐to‐cook products, thereby acting as future crops for sustainability.
Large‐scale network dynamics underlying the first few hundred milliseconds after stimulus presentation: An investigation of visual recognition memory using iEEG
Authors: Kopal Jakub , Hlinka Jaroslav , Despouy Elodie , Valton Luc , Denuelle Marie , Sol Jean‐Christophe , Curot Jonathan , Barbeau Emmanuel J.
Published: September 2023

Recognition memory is the ability to recognize previously encountered objects. Even this relatively simple, yet extremely fast, ability requires the coordinated activity of large‐scale brain networks. However, little is known about the sub‐second dynamics of these networks. The majority of current studies into large‐scale network dynamics is primarily based on imaging techniques suffering from either poor temporal or spatial resolution. We investigated the dynamics of large‐scale functional brain networks underlying recognition memory at the millisecond scale. Specifically, we analyzed dynamic effective connectivity from intracranial electroencephalography while epileptic subjects (n = 18) performed a fast visual recognition memory task. Our data‐driven investigation using Granger causality and the analysis of communities with the Louvain algorithm spotlighted a dynamic interplay of two large‐scale networks associated with successful recognition. The first network involved the right visual ventral stream and bilateral frontal regions. It was characterized by early, predominantly bottom‐up information flow peaking at 115 ms. It was followed by the involvement of another network with predominantly top‐down connectivity peaking at 220 ms, mainly in the left anterior hemisphere. The transition between these two networks was associated with changes in network topology, evolving from a more segregated to a more integrated state. These results highlight that distinct large‐scale brain networks involved in visual recognition memory unfold early and quickly, within the first 300 ms after stimulus onset. Our study extends the current understanding of the rapid network changes during rapid cognitive processes.
Microstates of the cortical brain‐heart axis
Authors: Catrambone Vincenzo , Valenza Gaetano
Published: September 2023

Electroencephalographic (EEG) microstates are brain states with quasi‐stable scalp topography. Whether such states extend to the body level, that is, the peripheral autonomic nerves, remains unknown. We hypothesized that microstates extend at the brain‐heart axis level as a functional state of the central autonomic network. Thus, we combined the EEG and heartbeat dynamics series to estimate the directional information transfer originating in the cortex targeting the sympathovagal and parasympathetic activity oscillations and vice versa for the afferent functional direction. Data were from two groups of participants: 36 healthy volunteers who were subjected to cognitive workload induced by mental arithmetic, and 26 participants who underwent physical stress induced by a cold pressure test. All participants were healthy at the time of the study. Based on statistical testing and goodness‐of‐fit evaluations, we demonstrated the existence of microstates of the functional brain‐heart axis, with emphasis on the cerebral cortex, since the microstates are derived from EEG. Such nervous‐system microstates are spatio‐temporal quasi‐stable states that exclusively refer to the efferent brain‐to‐heart direction. We demonstrated brain‐heart microstates that could be associated with specific experimental conditions as well as brain‐heart microstates that are non‐specific to tasks.
Hydroxamic Acids as PARP‐1 Inhibitors: Molecular Design and Anticancer Activity of Novel Phenanthridinones
Authors: Bondar Denys , Bragina Olga , Lee Ji Young , Semenyuta Ivan , Järving Ivar , Brovarets Volodymyr , Wipf Peter , Bahar Ivet , Karpichev Yevgen
Published: September 2023

Poly(ADP‐ribose)polymerase‐1 (PARP‐1) is a promising target for antitumor agents. This study presents the first evidence of hydroxamic acids as efficient PARP inhibitors. Molecular docking and molecular dynamics simulations revealed that N−O substituted phenanthridinones form a complex interplay with PARP‐1. A series of cyclic aryl hydroxamic acids, N‐(benzyloxy)‐ and N‐(hydroxy)phenanthridinones, were prepared through a ligand‐free methodology from N‐(benzyloxy)benzamides using dual C−H/N−H bond activation. Three of the computed hit compounds exhibited significant activity in cell‐based and enzymatic assays, inhibiting PARP‐1 in the low‐nanomolar range. The antiproliferative activity of all prepared compounds and the reference compounds PJ34 and Olaparib was evaluated in cancer cells (HepG2, BxPC3, MDA‐MD‐231, and HeLa) and in noncancer cell lines (NIH 3T3 and HEK 293). An N‐(benzyloxy)‐ and an N‐(hydroxy)phenanthridinone showed the most promising properties as leads for developing therapeutics with a submicromolar activity window. The study highlights the potential utility of this scaffold for PARP inhibitors and the importance of target‐specific design to minimize toxicity and side effects.
Drought versus flood: What matters more to the performance of Sahel farming systems?
Authors: Elagib Nadir Ahmed , Al Zayed Islam Sabry , Khalifa Muhammad , Rahma Abbas E. , Ali Marwan M. A. , Schneider Karl
Published: September 2023

Recent climate change has brought new patterns of extreme events in terms of both drought and heavy rainfall to the drought‐prone African Sahel. The effects of these recent extreme events on the performance of the Sahel farming systems are still weakly investigated. This study aims at assessing effects of droughts versus floods on crop yield levels and losses, focusing on the so‐called recovery period, particularly 2001–2020. A newly developed productivity‐drought condition index (PDCI) is utilized to assess agricultural productivity as related to drought or flood in a highly vulnerable region, that is, the Sudanese Sahel. Four farming systems, namely traditional rainfed, mechanized rainfed, gravity irrigated and spate irrigated systems, with sorghum and millet as staple food crops, are considered. The PDCI is defined as a function of the integrated normalized difference vegetation index (iNDVI) over the growing season. To address temporal and spatial variabilities, scaling of the PDCI is done in two dimensions: space and time. Crop statistics are used to derive yield losses. Our results show that both drought and flood episodes (seven and six episodes, respectively) can be captured using the PDCI. Drought remains the most relevant risk to Sahel's crop productivity. Some recent large‐scale floods led to yield loss. However, floods cause smaller risks to agricultural productivity compared to droughts. Floods may even result in enhanced crop yields. Based upon scaling in the time or space domain, ranking the severity of drought impacts on crop yield for individual years from 2001 to 2020 reveals least to slightly different results. Vulnerability to drought depends on the crop type and farming system. Drought effect on crop yield from the irrigated sector is clear on individual years but not as a general statistical relationship. The parameter ‘percentage area under drought’ explains around one‐third of the variation in the rainfed crop yield. The spate irrigation scheme, the gravity irrigated system and the rainfed farmlands experienced respectively 87%, 57% and 46% of area under drought on average. Irrigated systems produce much higher crop yields than rainfed systems. The mechanized system is more drought‐vulnerable than the traditional system. These results call for identifying agricultural management pathways that recognize the combined implications of both hydrological extremes for the region's food security.
Comparative impact of exercise‐based interventions for postpartum depression: A Bayesian network meta‐analysis
Authors: Wang Jing , Carru Ciriaco , Sedda Stefania , Fiori Pier Luigi , Li Zhi , Chen Zhichao
Published: September 2023

Objective

The current study aimed to address and rank which exercise‐based interventions are preferable to standard care/no therapy or another exercise intervention for postpartum depression (PPD) management and provide estimates for future definitive evidence.

Methods

The authors systematically searched PubMed, Embase, the Web of Science, PsycInfo, and ClinicalTrails.gov for randomized controlled trials (RCTs) on exercise‐based interventions for PPD from their inception to May 9, 2023. Included were RCTs of exercise‐based interventions for PPD with at least 4 weeks' duration. The pooled effects of intervention comparisons were generated by the Bayesian random‐effects model, and the quality of evidence was evaluated by the Grading of Recommendations, Assessment, Development, and Evaluations framework.

Results

Twelve RCTs (1260 women; mean age, 20–35 years) comparing exercise‐based interventions with usual care/no therapy were included. Exercise effectively treats depressive symptoms (standard mean difference [SMD], −0.81 [95% confidence interval (CI), −1.20 to −0.42], P < 0.001). Pram walking was significantly associated with a reduction of depressive symptoms during the postpartum period (SMD, −1.00 [95% CI, −2.60 to −0.10], P = 0.020), as well as yoga (SMD, −0.73 [95% CI, −1.84 to −0.43], P < 0.001) and supervised mixed exercise (SMD, −0.77 [95% CI, −1.67 to −0.01], P = 0.041) compared with usual care/no therapy. In indirect comparisons, pram walking (surface under the cumulative ranking curve, 58.9%) was better than yoga (SMD, −0.28 [95% CI, −1.86 to 1.22], P = 0.322) and supervised mixed exercise (SMD, −0.23 [95% CI, −1.59 to 1.12], P = 0.358). However, the difference was not statistically significant. The confidence in evidence was very low to moderate.

Conclusion

In women with PPD, all commonly prescribed physical exercises were effective alternative or complementary treatments. However, pram walking may perform better in improving the symptoms of PPD.
Effect of known pathological risk factors on the incidence of metastatic lymph nodes and survival in early‐stage vulvar cancer: SEER analysis
Authors: Nahshon Chen , Leitao Mario M. , Lavie Ofer , Segev Yakir
Published: September 2023

Objective

The current study was performed to evaluate the incidence of positive lymph nodes (LNs) in relation to known pathological risk factors, specifically among patients with apparent low‐grade, small tumors.

Methods

We used the Surveillance, Epidemiology, and End Results (SEER) database to retrospectively identify patients with vulvar squamous cell carcinoma (SCC) diagnosed between January 1, 2000, and December 31, 2019, with known tumor size and regional LN examined. A comparison between patients who had positive and negative LNs was conducted to identify risk factors for LN metastases in relation to survival. Subgroup analysis was conducted in patients with diagnosed grade 1 vulvar SCC and tumor size up to 2 cm according to the status of LNs.

Results

Multivariate analysis found that both grade of disease and tumor size were significant factors in predicting LN status. Among patients with low‐grade small tumors up to 2 cm, the odds ratio for positive LNs was 2.5 for those with tumor size larger than 1 cm. In a multivariate survival analysis, older age, larger tumor size, and positive LNs were independently associated with decreased survival.

Conclusions

The current study confirms that among small tumors, those larger than 1 cm have a significantly increased risk for positive nodes compared with those smaller than 1 cm, and, among this specific group, patients with positive nodes have decreased survival. Future studies are needed to answer the question of whether, in the era of the sentinel node procedure, it is safe to omit LN evaluation altogether.
Innovation in operative hysteroscopy: Use of Ellick bladder evacuator for tissue retrieval after hysteroscopic myomectomy using a resectoscope
Authors: Tariq Saboohi , McNally Aine , Rajab Hassan , Harrity Conor , Chummun Kushal
Published: September 2023

Synopsis

The novel use of an Ellick bladder evacuator for tissue retrieval after operative hysteroscopy by electrosurgical resectoscope can reduce operative time, multiple additional scope reinsertions and possible complications.
Sex, gender, and pronoun self‐identification among obstetrics and gynecology patients
Authors: Dinelli John , Flink‐Bochacki Rachel , Margolis Benjamin
Published: September 2023

Synopsis

Among patients surveyed at an academic Obstetrics/Gynecology clinic, 4.8% self‐identified as gender diverse. Gender diversity was not associated with reported comfort at the visit.
Comparison of intensive care unit liberation bundle adherence prior to and during the COVID‐19 pandemic: A retrospective cohort study
Authors: Bakare Lolade S. , Groth Christine M. , Young Mikaela , Hogan Brett , Rappaport Stephen H.
Published: September 2023

The intensive care unit (ICU) liberation (A–F) bundle is recommended by the Society of Critical Care Medicine guidelines as standard supportive care. Significant deviations were made to providing bundled care during the coronavirus disease 2019 (COVID‐19) pandemic. The objective of the study is to describe how COVID‐19 affected bundle adherence at a single academic medical center. This is a retrospective cohort study of adult medical ICU patients on mechanical ventilation (MV) for at least 48 h and an ICU stay of at least 7 days. Patients were separated into three cohorts based on ICU admission date and COVID‐19 status from April 2019 to March 2021; pre‐pandemic (pre‐COV), pandemic COVID‐19 negative (COV‐neg), and pandemic COVID‐19 positive (COV‐pos). Primary outcomes were median average daily bundle adherence over 7 days and daily complete bundle adherence. Secondary outcomes were individual bundle component adherence rates and patient outcomes. A total of 67 patients were included. Median average daily bundle adherence (pre‐COV 68.6% vs. COV‐neg 51.4% vs. COV‐pos 32.6%; p < 0.001), median number of days with complete adherence (pre‐COV 1 [interquartile range (IQR) 0–1] vs. COV‐neg 0 [IQR 0–0] vs. COV‐pos 0 [IQR 0–0]; p < 0.001), and percentage of patients with any day of complete bundle adherence (pre‐COV 78.6% vs. COV‐neg 14.3% vs. COV‐pos 7.1%) were different among groups and individual bundle component adherence varied. Also, median duration of MV (pre‐COV: 6.3 days [IQR 5.6–9], COV‐neg: 8.9 days [IQR 7.6–14], COV‐pos: 11.6 days [IQR 8.4–21], p = 0.01) and median days alive and free from MV up to Day 30 (pre‐COV: 23 [IQR 21–24], COV‐neg: 20 [IQR 15–22], COV‐pos: 18 [IQR 7–21], p = 0.015) were significantly different between groups. ICU A–F bundle adherence was significantly reduced during the COVID‐19 pandemic in patients with and without COVID‐19 infection.
Differentiation of lung and breast cancer brain metastases: Comparison of texture analysis and deep convolutional neural networks
Authors: Gultekin Mehmet Ali , Peker Abdusselim Adil , Oktay Ayse Betul , Turk Haci Mehmet , Cesme Dilek Hacer , Shbair Abdallah T. M. , Yilmaz Temel Fatih , Kaya Ahmet , Yasin Ayse Irem , Seker Mesut , Mayadagli Alpaslan , Alkan Alpay
Published: September 2023

Purpose

Metastases are the most common neoplasm in the adult brain. In order to initiate the treatment, an extensive diagnostic workup is usually required. Radiomics is a discipline aimed at transforming visual data in radiological images into reliable diagnostic information. We aimed to examine the capability of deep learning methods to classify the origin of metastatic lesions in brain MRIs and compare the deep Convolutional Neural Network (CNN) methods with image texture based features.

Methods

One hundred forty three patients with 157 metastatic brain tumors were included in the study. The statistical and texture based image features were extracted from metastatic tumors after manual segmentation process. Three powerful pre‐trained CNN architectures and the texture‐based features on both 2D and 3D tumor images were used to differentiate lung and breast metastases. Ten‐fold cross‐validation was used for evaluation. Accuracy, precision, recall, and area under curve (AUC) metrics were calculated to analyze the diagnostic performance.

Results

The texture‐based image features on 3D volumes achieved better discrimination results than 2D image features. The overall performance of CNN architectures with 3D inputs was higher than the texture‐based features. Xception architecture, with 3D volumes as input, yielded the highest accuracy (0.85) while the AUC value was 0.84. The AUC values of VGG19 and the InceptionV3 architectures were 0.82 and 0.81, respectively.

Conclusion

CNNs achieved superior diagnostic performance in differentiating brain metastases from lung and breast malignancies than texture‐based image features. Differentiation using 3D volumes as input exhibited a higher success rate than 2D sagittal images.
An integrated approach based on ultra‐performance liquid chromatography‐quadrupole time‐of‐flight mass spectrometry, network pharmacology, and molecular docking to study the key effective compounds and mechanism of action of Platycodi Radix in the treatment of chronic obstructive pulmonary disease
Authors: Wang Meiyuan , Pei Shuhua , Xie Luyao , Li Hanlin , Tang Shoufang , Li Yuwen , Chen Ziyi , Liu Shu , Liu Zhongying
Published: September 2023

Platycodi Radix (PR) is a valuable herb that is widely used in the treatment of chronic obstructive pulmonary disease in clinics. However, the mechanism of action for the treatment of chronic obstructive pulmonary disease remains unclear due to the lack of in vivo studies. Our study established a novel integrated strategy based on ultra‐performance liquid chromatography coupled with time‐of‐flight mass spectrometry, network pharmacology, and molecular docking to systematically analyze the tissue distribution and active compounds of PR in vivo and the therapeutic mechanism of chronic obstructive pulmonary disease. First, tissue distribution studies have shown that the lung is the organ with the highest distribution of PR compounds. Subsequently, network pharmacology results showed that the tumor necrosis factor signaling pathway, interleukin‐17 signaling pathway, and mitogen‐activated protein kinase signaling pathway were the critical mechanisms of PR against chronic obstructive pulmonary disease. Ultimately, molecular docking results showed that the key targets were stably bound to the corresponding active compounds of PR. Our study is of great significance for the screening of the key effective compounds and the study of the mechanism of action in traditional Chinese medicine and provides data to support the further development and utilization of PR.
Real‐world treatment patterns of Finnish adult patients with atopic dermatitis: From topicals to systemic therapy
Authors: Kiiski Ville , Vikkula Johanna , Ukkola‐Vuoti Liisa , Lassenius Mariann I. , Kopra Jaakko
Published: September 2023

Background

Atopic dermatitis (AD) is a chronic skin condition with varying persistence and intensity. In mild cases, topical therapies usually suffice to prevent flares. However, systemic treatment options may be required in the moderate to severe forms of AD. In the lack of comprehensive real‐world data, exhaustive descriptions of the overall treatment practice of AD are still missing.

Objectives

The objective of this study was to describe the real‐world treatment patterns of AD in Finland. Further, the study aimed to provide an in‐depth understanding of the treatment of severe AD.

Methods

This retrospective registry study utilized nationwide data from both primary and secondary healthcare electronic health records. All patients (128,428) with AD diagnosis code or reimbursement for AD medication from 2005 to 2019 were collected. Treatments, switches, persistence and time to next treatment (TTNT) were investigated. Severity of AD was assessed based on registry data.

Results

The majority of patients (83%) had used at least one treatment for AD during the study time. Irrespective of AD severity, the amounts of reimbursed topicals appeared low (topical calcineurin inhibitors 66 g, topical corticosteroids 110 g and emollients 1 kg per year) when compared to the care recommendations. Most patients with severe AD managed their condition with topical treatment options. Only 7.2% of patients with severe AD purchased systemic medication, of which methotrexate and cyclosporine were the most common options. The TTNT for systemic treatment ranged from several years up to decades, and the median treatment persistence ranged from 4 to 9 months depending on the selected therapy.

Conclusions

The use of systemic medication was rare in the AD population, and the detected treatment persistence among patients receiving systemic medication was low. The amount of topical treatment use detected in this study suggests potentially suboptimal levels of basic treatment of AD.
Students reach landmark settlement with Yale University on MH policies
Authors: Canady Valerie A.
Published: September 2023

Following a lawsuit filed last year by Yale University students alleging that the university has discriminated against students with mental health disabilities and, specifically, violated the Americans with Disability Act and the Affordable Care Act, a settlement agreement, filed Aug. 25, has been reached in federal district court that will also make significant revisions to undergraduate polices.
New APAF campaign empowers people to seek MH care
Authors: Canady Valerie A.
Published: September 2023

Observing that the country is faced with an ongoing mental health crisis and the need to shift the conversation to ensure that people prioritize their mental well‐being on par with their physical well‐being, the American Psychiatric Association Foundation (APAF) last month announced the launch of a transformative awareness campaign.
High‐Sucrose Diet Accelerates Arthritis Progression in a Collagen‐Induced Rheumatoid Arthritis Model
Authors: Min Yunhui , Heo Yunji , Feng Fang , Kim Dahye , Kim Mangeun , Yang Jiwon , Kim Hyo Jin , Jee Youngheun , Ghosh Mrinmoy , Kang Inhae , Son Young‐Ok
Published: September 2023

Scope

High dietary sugar and sweeteners are suspected to cause the development of rheumatoid arthritis (RA) symptoms through the induction of proinflammatory cytokine release. However, the mechanisms by which increased dietary sugar affects RA etiology are not yet fully understood. The study uses a mouse model of collagen‐induced RA (CIA) to investigate the relationship between excessive sugar consumption and RA risk.

Methods and results

RA‐associated pathological features are assessed in the nonimmunized (NI) control group, the CIA‐positive control group, and the CIA + high‐sucrose diet (CIA+HS, 63% calories from sucrose) group. Compared with the CIA group, the CIA+HS group shows a greater increase in paw thickness and clinical scores, as well as, a higher degree of pannus formation and inflammation in the knee, ankle, and sole tissues. Moreover, the infiltration of immune cells is increased in the CIA+HS group. Although the expression of hepatic lipogenic genes, is not altered, that of toll‐like receptor (TLR4) and IL‐1β is considerably elevated in the CIA+HS group.

Conclusions

These findings suggest that excessive sucrose consumption causes hepatic fibrosis and inflammation, contributing to the pathophysiology of RA.
Pure shift FESTA: An ultra‐high resolution NMR tool for the analysis of complex fluorine‐containing spin systems
Authors: Mycroft Coral , Smith Marshall J. , Nilsson Mathias , Morris Gareth A. , Castañar Laura
Published: September 2023

NMR measurements of molecules containing sparse fluorine atoms are becoming increasingly common due to their prevalence in medicinal chemistry. However, the presence of both homonuclear and heteronuclear scalar couplings severely complicates their analysis by NMR. In complex systems, FESTA, a heteronuclear spectral editing method, allows simplified 1H NMR spectra to be obtained containing only 1H signals from the same spin system as a chosen 19F. Despite spectral simplification, signal overlap due to the presence of scalar couplings is often a problem in FESTA spectra. Here, we report a new experiment that combines FESTA and pure shift methods to provide fully decoupled ultra‐high resolution FESTA spectra showing a single signal for each 1H chemical environment. The utility of the method is demonstrated for the analysis of two complex fluorine‐containing mixtures of pharmaceutical and biochemical interest.
A typology of disintermediated giving and asking in the non‐profit sector
Authors: MacQuillin Ian , Kottasz Rita , Locilento Juniper , Gallaiford Neil
Published: September 2023

Disintermediation is the ability to sell products and services directly to consumers without these having to pass or go through a ‘middleman’, such as travel agent or record company. With no product or service to sell to consumers, disintermediation in the non‐profit sector has been conceived as the giving of money directly to beneficiaries/end users, without the need to go through a ‘middleman’ charity—in other words, it is disintermediated giving. However, there is no consensus definition of what ‘disintermediated giving’ is or to what it applies. Much of the academic literature has focused on one form of disintermediated giving: crowdfunding, which is generally conducted on digital platforms. However, not all crowdfundraising/crowdfunding disintermediates charities from the process of giving; and not all disintermediation of charities from the giving process is accomplished via digital crowdfunding platforms. Further, there are examples of various forms of disintermediated giving, particularly, but not solely via crowdfunding platforms, that have raised questions about its practices, ethics, regulation and accountability. Finding robust and sustainable solutions to these issues first requires a coherent conceptualisation of disintermediation/disintermediated giving in the non‐profit sector. This paper attempts to do that by providing a typology of disintermediation/disintermediated giving. We examine the phenomenon of disintermediation in organisations that adopt the ‘traditional charity model’ (those which ask for and then convert donations into goods and services for beneficiaries) and look to see which functions and processes are subjected to disintermediation. This can be either the whole or part of that asking/converting process, which is replaced or bypassed by a different entity (individuals, commercial fundraising entities, or companies or charities that adopt an alternative approach to the ‘traditional charity model’). Our typology contains three main types of disintermediation: (A) the charity is disintermediated, with donations and support given directly by donors to beneficiaries; (B) the charity's fundraising function is disintermediated; (C) the charity's service provision to beneficiaries is disintermediated. Each of these raises ethical and regulatory issues, which we briefly explore.
Obstetrical outcomes following amniocentesis performed after 24 weeks of gestation: A systematic review and meta‐analysis
Authors: Nassr Ahmed A. , Hessami Kamran , D’Alberti Elena , Giancotti Antonella , Meshinchiasl Nazlisadat , Evans Mark I. , Di Mascio Daniele , Shamshirsaz Alireza A.
Published: September 2023

To evaluate obstetrical outcomes for women having late amniocentesis (on or after 24 weeks). Electronic databases were searched from inception to January 1st, 2023. The obstetrical outcomes evaluated were gestational age at delivery, preterm birth (PTB) < 37 weeks, PTB within 1 week from amniocentesis, premature prelabor rupture of membranes (pPROM), chorionamnionitis, placental abruption, intrauterine fetal demise (IUFD) and termination of pregnancy (TOP). The incidence of PTB <37 weeks was 4.85% (95% CI 3.48–6.56), while the incidence of PTB within 1 week was 1.42% (95% CI 0.66–2.45). The rate of pPROM was 2.85% (95% CI 1.21–3.32). The incidence of placental abruption was 0.91% (95% CI 0.16–2.25), while the rate of IUFD was 3.66% (95% CI 0.00–14.04). The rate of women who underwent TOP was 6.37% (95%CI 1.05–15.72). When comparing amniocentesis performed before or after 32 weeks, the incidence of PTB within 1 week was 1.48% (95% CI 0.42–3.19) and 2.38% (95% CI 0.40–5.95). Amniocentesis performed late after 24 weeks of gestation is an acceptable option for patients needing prenatal diagnosis in later gestation.
Recovery current characteristics of diode mode operation in GaN gate injection transistor bi‐directional switch
Authors: Ide Toshihide , Shimizu Mitsuaki , Shen Xu‐Qiang , Ishida Hidetoshi , Ishida Masahiro , Otsuka Nobuyuki , Ueda Tetsuzo
Published: September 2023

The recovery current characteristics of the GIT bi‐directional switches in the diode mode are investigated. The recovery current waveforms are only dependent on the gate bias condition of the switching transistor, and not dependent on the gate bias of the GIT bi‐directional switch. The products of the recovery current peak and the recovery time estimated by the switching waveforms are almost constant in spite of changing the turn‐on voltage, and these values agree well with the charge at the diode shown by the integral of the diode capacitance and S2‐S1 voltage of the GIT bi‐directional switch. From these results, it is found that the independence of the gate bias of the GIT bi‐directional means that the influence of the hole injection is slight, and the diode operation of the GaN GIT bi‐directional switch is likely to be operated as schottky barrier diode.
Characterization of high electron mobility transistor fabricated on hydride vapor phase epitaxy‐grown GaN templates containing various Fe concentrations
Authors: Sugimoto K. , Nishihira T. , Arita N. , Dempo Y. , Okada N. , Tadatomo K.
Published: September 2023

An AlGaN/GaN high electron mobility transistor (HEMT) structure was grown on a semi‐insulating (SI) GaN layer or substrate to suppress a leakage current and achieve a high breakdown voltage. Fe can be used as doping material to obtain SI‐GaN. However, the relationship between the Fe concentration in the GaN layers and its influence on HEMT characteristics has not yet been investigated. In this study, we therefore investigated the influence of Fe concentration in the GaN layers on HEMT characteristics. The GaN layers containing several Fe concentrations were grown by hydride vapor phase epitaxy (HVPE). The Fe concentration was varied from 3 × 1017 to 3 × 1020 atoms cm−3. It was determined that the source‐drain current (IDS) decreased as the Fe concentration increased. In the case of a low Fe concentration of 3 × 1017 atoms cm−3, IDS was almost the same as that of HEMT on the non‐Fe‐doped GaN template. Thus, HEMT characteristics deteriorated as the Fe concentration increased. The channel layer played a role in blocking the adverse effects of Fe doping on the two‐dimensional electron gas concentration in AlGaN/GaN. Moreover, it was shown that the GaN channel layer must become thicker as the Fe concentration of the GaN layers increases.
Effect of nano‐porous SiNxinterlayer on propagation of extended defects in semipolar ‐orientated GaN
Authors: Monavarian Morteza , Izyumskaya Natalia , Müller Marcus , Metzner Sebastian , Veit Peter , Das Saikat , Özgür Ümit , Bertram Frank , Christen Jürgen , Morkoç Hadis , Avrutin Vitaliy
Published: September 2023

Semipolar orientations of GaN have attracted considerable attention as potential platforms for high brightness light‐emitting devices. The heteroepitaxy of semipolar GaN layers results in high densities of threading dislocations (TDs) and basal‐plane stacking faults (BSFs). Various defect reduction methods have been employed to improve the crystal quality of the semipolar substrates, among which thein situepitaxial lateral overgrowth (ELO) is of great importance due to its relatively simple procedure, low cost, and high effectiveness in reducing density of TDs. We have shown thatin situdeposited nano‐porous SiNxcould act as a blocking layer preventing both TDs and BSFs from penetrating to overgrown semipolarGaN layers. In this contribution, we present microscopic study of interaction of extended defects (TDs and BSFs) with nano‐porous SiNxin‐oriented GaN layers grown by MOCVD onm‐sapphire substrates. Cross‐sectional scanning transmission electron microscopy‐cathodoluminescence (STEM‐CL) reveals reduction of BSF density by about 50% for dual insertion of SiNxinterlayers. It is also shown that the integrated CL intensity is enhanced by about two orders of magnitude indicating that the majority of TDs are blocked by the interlayers. The interaction of TDs and BSFs with nano‐porous SiNxand defect distribution in GaN nuclei are briefly discussed.
Drug‐facilitated sexual assault in Africa: A scoping review of empirical evidence
Authors: Amzat Jimoh , Kanmodi Kehinde Kazeem , Aminu Kafayat , Egbedina Eyinade Adeduntan
Published: September 2023

Background

Sexual assault has been a major social problem worldwide. Drug‐facilitated sexual assault (DFSA) is a form of sexual assault facilitated by psychoactive substances. DFSA is highly prevalent worldwide, though it is usually underreported. To understand the situation of DFSA in Africa, there is a need to map the available empirical evidence on DFSA in Africa. Hence, this scoping review was conducted to summarize the existing empirical knowledge and gaps in the literature and inform future research on DFSA in Africa.

Methods

This study adopted the design by the Arksey and O'Malley's guideline for scoping reviews. Without year limiters, literatures were retrieved through a systematic search of the 11 electronic databases using appropriate search terms and Boolean operators. The retrieved literatures were deduplicated and screened, using Rayyan, to identify eligible literature for inclusion into the review. Only those articles that met the eligibility criteria were included for data charting, collation, and summarization. Four articles were included in this review.

Results

Four articles were included in this review. The studies reported the characteristics of offenders and the context in which DFSA occurred. In the reviewed studies, rape of men was only reported among South Africans. Sedatives and alcohol are the most reported substances used in such rape. Perceptions of date rape, as documented by sexual assault survivors, suggest the pervasiveness of victim blaming. Typical DFSA cases appear opportunistic in nature, and an acquaintance is often the culprit. However, disaggregating DFSA as a specific sexual assault requires some logistics, including forensic and toxicological investigations.

Conclusion

DFSA is a significant dimension of gender‐based sexual violence. Infrastructure development should be improved to support systematic toxicological analyses and services to investigate and understand DFSA.
Verbenone‐based push–pull chromophores with giant first hyperpolarizabilities: A new structure–property correlation study
Authors: Sun Hejing
Published: September 2023

Novel chromophores Ch1–8 based verbenone bridge with various strong donors and acceptors were designed for applications in nonlinear optics, and the nonlinear optical (NLO) properties of those verbenone‐type chromophores were systematically investigated using the bond length alteration (BLA) theory, two states model (TSM) and sum‐over‐states (SOS) model. The results show that several verbenone‐based chromophores possess remarkably large molecular second‐order hyperpolarizabilities, which is due to its electron distribution close to the cyanine limit, the appropriate strength of acceptor, rather large change in dipole moment and low excitation energy. Computed hyperpolarizability (βtot) of Ch6 also approach an outstanding 2922 × 10−30 esu in TFE. The hyperpolarizability density analyses and two states model (TSM) were carried out to make a further insight into the origination of molecular nonlinearity of this unique system, suggesting that tuning structure of acceptor and polarity of the medium have great influence on the second‐order nonlinear optical properties. More importantly, chromophores Ch1–Ch8 exhibited distinct features in two‐dimensional second order NLO responses, and the strong electro‐optical Pockels effect and optical rectification responses. The excellent electronic sum frequency generations (SFG) and difference frequency generations (DFG) effect are observed in these verbenone‐type chromophores. These chromophores have a possibility to be appealing second‐order nonlinear optical (NLO) materials, data storage materials and DSSCs materials from the standpoint of large β values, high LHE, and excellent two‐dimensional second order NLO responses.
Assessing the drivers of (non)conventional energy portfolios in the South Asian economies: The role of technological innovation and human development
Authors: Onifade Stephen Taiwo , Gyamfi Bright Akwasi , Alola Andrew Adewale , Haouas Ilham
Published: September 2023

Energy is a vital component of economic development process, but part of the energy system including production and consumption of non‐renewable energy sources largely constitute environment setback. Interestingly, this research contributes to the growing debate on understanding the factors contributing to energy consumption portfolios using the case of five major South Asian economies including Bangladesh, India, Nepal, Sri Lanka, and Pakistan from 1990 to 2018. Crucial factors like trade flow, human development index, technological innovations, and urbanization were controlled for while examining the roles of economic expansion on the disaggregated energy consumption portfolios (renewable and non‐renewable energy sources) of these countries. The empirical dissection revealed that economic growth and the duo of trade and innovation are inimical to environmental sustainability as they trigger nonrenewable energy consumption while suppressing cleaner energy usage in the South Asian bloc. Urbanization on the other hand shows significant simultaneous positive impacts on the consumption of both renewables and nonrenewable energy, but its impacts are more pronounced on the latter than the former. Lastly, the study posits that human development and urbanization are major drivers of clean energy among the countries. Thus, strategic investment plans for human development enhancements and greener urban infrastructures are recommended for environmental sustainability goals in the region.
Fe3O4@Zeolite‐Y Functionalized with N‐Methylimidazolium Ionic Liquid: Design and Performance as a New Recyclable and Magnetically Nanocatalyst in the Three‐Component Synthesis of N‐Heterocyclic‐1,3‐thiazolidinones
Authors: Kalhor Mehdi , Nozare Pouria , Vessally Esmail , Mohammadi Bagher
Published: September 2023

In this research, first, nanoporous zeolite‐NaY was functionalized with 3‐chloropropyltriethoxysilane (organic linker) and then N‐methylimidazole group. Then magnetic nanoparticles (Fe3O4) under ultrasonic energy conditions on the surface and internal pores of zeolite‐Y (1‐MeIm IL@ZY‐Fe3O4) were formed. The identification, confirmation of the structure and morphology of the prepared magnetic nanohybrid was done by using FTIR, FESEM, TEM, EDX, TGA, XRD, VSM and BET instrumental techniques. Next, its catalytic performance in the synthesis of a number of 3‐benzimidazolyl (or benzothiazolyl)‐1,3‐thiazolidin‐4‐one derivatives was investigated through the three‐component condensation reaction of various aromatic aldehydes, 2‐aminobenzimidazole or 2‐aminobenzothiazole, and thioglycolic acid in EtOH at room temperature. The results of the experiments show that the presence of magnetic nanoparticles (Fe3O4) inside the pores of zeolite functionalized with ionic liquid not only causes easy and quick separation of the nanocatalyst by an external magnetic field but also can be effective in catalyzing the reaction as a Lewis acid.
Effect of Zn Doping on Antibacterial Efficacy of CuO Nanostructures
Authors: Bhosale Sneha R. , Bhosale Rakhee R. , Moyo Alfredi A. , Shinde Sachin B. , Yadav Trupti B. , Dhavale Rushikesh P. , Chalapathi Uppala , Patil Deepak R. , Anbhule Prashant V.
Published: September 2023

Bacterial diseases are causing major health issues across the world. Recent research has revealed that the metal ion discharge of nanomaterials is extremely effective at eradicating bacterial outbreaks and resistance. Reactive oxygen species (ROS) for antibacterial functions have been produced using nanomaterials with high specific surface area, complex structural framework, and spectral properties. In this study, we thoroughly investigated the impact of Zn dopants on copper oxide (CuO) nanostructures and their nanomaterial‐based antibacterial processes. The method of production includes the formation of CuO and Zn‐doped CuO nanostructures via chemical coprecipitation. By using several characterization techniques, the as‐synthesized nanostructures were confirmed. Based on their specific surface area and surface‐active site, the different antibacterial activities of these dopants vary the antibacterial action. The antibacterial activity was evaluated using the agar well diffusion method. A significant antibacterial action was observed in the samples. In the pharmaceutical and food sectors, this CuO and its combined dopants can be a substitute for synthetic antibacterial agents.
A Novel Heterogeneous Copper Catalyst Immobilized on Polydopamine‐Coated Magnetite for Click Reaction
Authors: Kwak Soo‐Jung , Oh Sang‐Sun , Ahn Yong‐Hyun , Kim Seung‐Hoi
Published: September 2023

A novel catalyst has been afforded by immobilizing Cu(OAc)2 salt to polydopamine‐coated magnetite (Fe3O4). The catalytic platform (Fe3O4@PDA@Cu) was fully characterized by Fourier transform infrared, Energy‐dispersive X‐ray, Scanning Electron Microscopy, and Thermogravimetric Analysis. The catalytic activity of the Fe3O4@PDA@Cu nanocatalyst was investigated in a green and effective synthesis of click reaction by applying three‐component reactions of azide, alkyne, and benzyl surrogates in water, providing the corresponding 1,2,3‐triazoles in high yield. Furthermore, the present nanocatalyst could be easily separated by an external magnet and reused several times without considerable reduction of its catalytic efficiency. Operational simplicity, environmental friendliness, economical processing, and easy workup are the features of the present protocol.
Enhanced Stability and Highly Bright Electroluminescence of AgInZnS/CdS/ZnS Quantum Dots through Complete Isolation of Core and Shell via a CdS Interlayer
Authors: Kwon Hyo‐Geun , Lee Taesoo , Kim Kihyo , Kim Do‐Hyun , Seo Haewoon , Kwon O‐Pil , Kwak Jeonghun , Kim Sang‐Wook
Published: September 2023

An approach for synthesizing AgInZnS/CdS/ZnS core–shell–shell quantum dots (QDs) that demonstrate exceptional stability and electroluminescence (EL) performance is introduced. This approach involves incorporating a cadmium sulfide (CdS) interlayer between an AgInZnS (AIZS) core and a zinc sulfide (ZnS) shell to prevent the diffusion of Zn ions into the AIZS core and the cation exchange at the core–shell interface. Consequently, a uniform and thick ZnS shell, with a thickness of 2.9 nm, is formed, which significantly enhances the stability and increases the photoluminescence quantum yield (87.5%) of the QDs. The potential for AIZS/CdS/ZnS QDs in electroluminescent devices is evaluated, and an external quantum efficiency of 9.6% in the 645 nm is achieved. These findings highlight the importance of uniform and thick ZnS shells in improving the stability and EL performance of QDs.