bluuebunny/crossref_metadata_2025 huggingface dataset:
A prospective study on the relationship between polycystic ovary syndrome and age at natural menopause
Authors: Amiri Mina , Rahmati Maryam , Firouzi Faegheh , Azizi Fereidoun , Ramezani Tehran Fahimeh
Published: February 2024

Objective

This study aimed to determine whether polycystic ovary syndrome (PCOS) was associated with age at menopause, compared with women without PCOS, after adjusting for potential confounders.

Methods

A total of 1,696 reproductive-aged participants from the Tehran Lipid and Glucose Study were included in this population-based prospective study with a follow-up of approximately 20 years. Of these, 348 women with PCOS based on the Rotterdam criteria and 1,348 non-PCOS controls were followed to assess the age at which they reached menopause. An accelerated failure time survival regression model was used to identify the association between PCOS and the age at natural menopause (ANM), with and without adjustment for potential confounders.

Results

The unadjusted accelerated failure time survival model revealed a significant positive association between PCOS and ANM; PCOS women experienced time to menopause by a factor of 1.05 than non-PCOS controls (95% confidence interval, 1.02-1.06; P < 0.001). After adjusting for age at baseline, menarche age, history of hypertension, history of type 2 diabetes mellitus, parity, oral contraceptive use, body mass index, education level, physical activity, and smoking, the results remained significant (time ratio: 1.03; 95% confidence interval, 1.01-1.06; P = 0.002).

Conclusions

This study indicates that ANM is significantly associated with PCOS in women. Our study findings may have implications for the fertility and reproductive health of women with PCOS. However, further large longitudinal studies on diverse populations accounting for other relevant confounders are still needed to provide data on the actual difference in age at menopause and to elucidate the underlying mechanisms of this association.
High-Resolution Ultrasound for Diagnosis and Treatment of Filler-Related Septal Necrosis
Authors: Desyatnikova Stella , Barrera Patricia
Published: February 2024

Nonsurgical rhinoplasty using filler injections is a popular procedure; however, it carries risks of significant complications, including vascular occlusion, skin necrosis, blindness, and cerebral ischemia. We present a case of septal necrosis after nonsurgical rhinoplasty and describe management using ultrasound guidance. Awareness of this complication and high clinical index of suspicion are necessary for early diagnosis and treatment, crucial to minimizing permanent sequelae. We show that high-definition ultrasound can help to guide the management and improve the treatment outcomes.
The role of oscillometry in asthma
Authors: Donohue Patrick A. , Kaminsky David A.
Published: February 2024

Purpose of review

Oscillometry is a noninvasive pulmonary function test that has gained significant interest in the evaluation of lung disease. Currently, oscillometry is primarily a research tool, but there is a growing body of evidence supporting its clinical use. This review describes the recent work evaluating the role of oscillometry in the diagnosis and treatment of asthma.

Recent findings

A large body of observational data supports the ability of oscillometry to distinguish healthy individuals from those with respiratory symptoms or lung disease. Oscillometry may not be as useful as an isolated diagnostic test in asthma, but the combination with other pulmonary function tests may improve its diagnostic ability. Oscillometry can detect peripheral airways dysfunction in asthma, which is associated with symptoms and the risk for exacerbations. To help guide future research, minimal clinically important differences for specific oscillometry variables have been developed. Oscillometry may be useful in monitoring the response to biological therapy and has potential for personalizing treatment for individual patients. Oscillometry also has potential in uncovering unique aspects of the pathophysiology of asthma in obesity.

Oscillometry is a promising tool in the diagnosis and management of asthma. More research is needed to support its routine clinical use.
Lung abscess: an update on the current knowledge and call for future investigations
Authors: Sperling Søren , Dahl Victor Naestholt , Fløe Andreas
Published: February 2024

Purpose of review

Lung abscess is a severe and complex respiratory infection. The purpose of this review is to discuss recent publications on lung abscess, covering topics such as epidemiology, clinical presentation, diagnosis, and treatment and prevention.

Recent findings

Risk factors associated with lung abscess include structural lung disease, poor dental hygiene, and ventilator-associated pneumonia, while concerns are now raised regarding the potential of electronic cigarettes use as a risk factor. The complexity of lung abscess is reflected by the relative high number of case reports describing rare and complex cases. Early transthoracic drainage could improve in-hospital outcomes, while next-generation sequencing could become an important tool in diagnostics and future clinical studies.

High-quality evidence and guidelines to support treatment of lung abscess are lacking. Despite advancements, we call for prospective studies to evaluate the use of invasive procedures and antibiotic treatment regimens.
Highly effective cystic fibrosis transmembrane conductance (regulator) modulator therapy: shifting the curve for most while leaving some further behind
Authors: Chun Stanford W. , Somers Maya E. , Burgener Elizabeth B.
Published: February 2024

Purpose of review

Traditional cystic fibrosis (CF) care had been focused on early intervention and symptom mitigation. With the advent of highly effective cystic fibrosis transmembrane conductance regulator (CFTR) modulator therapy (HEMT), in particular, the approval of elexacaftor/tezacaftor/ivacaftor in 2019, there has been a dramatic improvement in outcomes in CF. The purpose of this article is to review the benefits, limitations, and impact of HEMT as well as discuss the new implications, challenges, and hope that modulators bring to people with CF (pwCF).

Recent findings

HEMT has demonstrated sustained improvement in lung function, nutrition, quality of life, and survival for over 90% of pwCF. As HEMT has delivered such promise, there is a small but significant portion of pwCF who do not benefit from HEMT due to ineligible mutations, intolerance, or lack of accessibility to modulators.

HEMT has significantly improved outcomes, but continued research is needed to understand the new challenges and implications the era of HEMT will bring, as well as how to provide equitable care to those who are unable to benefit from HEMT.
Alstrom syndrome with classical findings: a rare case report of monogenic ciliopathy co-occurrence in twins
Authors: Ghimire Sagun , Simkhada Suman , Thapa Samir , Ghising Kiran
Published: February 2024

Introduction and importance:

Alstrom syndrome is one of the rarest monogenic ciliopathy belonging to autosomal recessive disorder. The pathophysiology of Alstrom syndrome is not well understood but based upon the available medical literature its mechanism can be linked with recessive mutation in Alstrom syndrome 1(ALSM1) gene resulting in various multiple organ involvement and poor prognosis. Moreover the co-occurrence of such syndrome simultaneously in twins in same period of time is considered rare.

Case presentation:

Monochorionic diamniotic twins male born to healthy parents with significant antenatal and natal history along with decreased vision in both eyes in both twins since neonatal period. Throughout the childhood the disease progressed without any confirmatory diagnosis during which the twins underwent simultaneous multiple systemic involvement such as legal blindness in both twins at the age of 11 years, insulin resistance and features of diabetes mellitus, sensorineural hearing loss, subclinical hypothyroidism and various deranged metabolic panels. Certain diagnosis of Alstrom syndrome was made at the age of 16 years in both twins after whole-exome sequencing.

Clinical discussion:

Based on genetic profile alstrom syndrome is a unique diagnosis. Along with its multi-organ involvement features, its progression and prognosis should also be looked upon while diagnosis and management in such syndromic patients. The diagnostic delay in such cases is also a matter of concern which can result in further delay in halting adverse effects of the disease itself. The multidisciplinary approach with involvement of endocrionologist, ophthalmologist and audiologist can bring upon improvement in quality of life of the patients.

Conclusion:

With the prevalence of 1 in million cases Alstrom Hallgren syndrome is one of the rare genetic disorder with poor prognosis. In our case we present classical findings in twins who were diagnosed as Alstrom syndrome concurrently and further diseases progressed simultaneously.
Uterine arteriovenous malformation: a case of challenges in diagnosis and management of a patient with a history of misdiagnosed hemorrhage
Authors: Nourallah Farah , Kabbabe George Michael , Alhalak Fadi , Raffoul Lutfallah , Ghaith Nizar , Abbassi Haitham , Hersi Marwa Ahmed , Haddad Sultaneh
Published: February 2024

Introduction:

Uterine arteriovenous malformations (AVMs) are a rare cause of obstetrical hemorrhage. It can be congenital due to a defect during embryogenesis or acquired. Uterine AVMs can cause life threatening postpartum hemorrhage, and is most frequently misdiagnosed. This case highlights the diagnostic challenges posed by uterine arteriovenous malformation, a rare vascular anomaly that poses significant challenges in diagnosis and management.

Case presentation:

This case report details the clinical presentation, diagnostic challenges, and treatment approach for a 39-year-old woman. In the absence of a medical history indicative of pre-existing ailments, the individual in question has undergone two emergency cesarean sections as documented in her surgical history, in addition to two previous dilation and curettage D&C operations. The patient presented with heavy vaginal bleeding six months after a cesarean section. The patient’s clinical presentation, imaging findings, and intraoperative observations collectively substantiate the diagnosis of uterine arteriovenous malformations

Discussion:

Women who have had uterine instrumentatio surgery, such as a cesarean section or dilatation and curettage (D&C) are more likely to develop acquired uterine AVMs. The absence of uterine artery embolism options compelled the use of alternative diagnostic methods, including contrast MRI, which successfully detected abnormal vascular lesions. The choice for hysterectomy was influenced by the patient’s completion of childbearing and the presence of large vessels in proximity to critical regions.

Conclusion:

This case emphasizes the significance of adapting treatment plans based on local resource constraints and the need for ongoing efforts to enhance diagnostic capabilities in undeserved regions.
Assisted Partner Notification Services in Namibia: Comparison of Case-Finding in Persons With New and Previously Diagnosed Human Immunodeficiency Virus, and Success as a Platform for PrEP Referral
Authors: O'Bryan Gillian , Chirairo Harugumi , Munyayi Farai , Ensminger Alison , Barnabee Gena , Dzinotyiweyi Edington , Mwandingi Leonard , Ashipala Laimi , Forster Norbert , O'Malley Gabrielle , Golden Matthew
Published: February 2024

Background

Assisted partner notification services (APS) are widely implemented throughout sub-Saharan Africa. The effectiveness of APS among persons with previously diagnosed human immunodeficiency virus (HIV) infection is uncertain, and there are few published data on the success of integrating referrals for HIV preexposure prophylaxis (PrEP) into APS.

Methods

Staff in 22 Namibian Ministry of Health and Social Service clinics offered APS to patients newly and previously diagnosed with HIV (index cases [ICs]) between October 2019 and June 2021. Counselors used a structured interview guide to elicit ICs' sex partners and biological children and assisted ICs to arrange testing of contacts. Contacts testing HIV-positive were linked to HIV services and those 14 years or older testing negative were offered PrEP. The primary outcome was the case-finding index (contacts testing HIV-positive ÷ ICs receiving APS).

Results

Staff provided APS to 1222 (78%) of 1557 newly diagnosed ICs eliciting 1155 sex partners and 649 biological children. Among 280 previously diagnosed ICs, 279 sex partners and 158 biological children were elicited. The case-finding index was higher among ICs with newly diagnosed HIV compared with previously diagnosed HIV (0.14 vs 0.09, P = 0.46), though this difference was not statistically significant. Most sex partners testing HIV-negative were initiated on PrEP (67% in sex partners from newly diagnosed ICs; 74% in sex partners from previously diagnosed ICs).

Conclusions

Assisted partner notification services successfully identified sex partners and biological children with undiagnosed HIV infection when provided to both newly and previously diagnosed ICs. Integration of referral to PrEP resulted in many HIV-negative partners initiating PrEP.
Accidental Gunshot Wound Fatalities Related to Dropped Firearms
Authors: Smith Margaret M. , deJong Joyce L. , Prahlow Joseph A.
Published: February 2024

A death resulting from the accidental discharge of a firearm represents a rare but oftentimes preventable tragedy. Such deaths may occur in a variety of settings. One such setting involves the discharge of a loaded firearm, which occurs when it is accidentally dropped, thrown, or falls to the ground. We report on 3 cases in which a loaded firearm discharged when it was dropped, resulting in the deaths of 3 individuals. In 2 cases, the person carrying the dropped firearm was killed, whereas in the third case, a child standing near the person who dropped the weapon was killed. We discuss the risk factors involved in these tragic incidents and present preventive strategies.
Factors Influencing Parental Willingness to Consent to a Survey Study for Patients in the Pediatric Emergency Department
Authors: Fischer Kayleigh , Smith Gabriella B. , Luna Sofia E. , Jamro-Comer Erica , Leupold Olivia , Ahmed Hamza , Govindji Shiv , Ahmad Fahd
Published: February 2024

Objective

To identify factors that impact parental willingness to consent to research studies conducted for their children during visits to pediatric emergency departments (EDs).

Methods

Parents and guardians of children receiving care in our pediatric ED were approached and asked if they would be willing to let their child participate in a research study requiring the child to complete an electronic questionnaire. No such questionnaire existed, however, because the primary purpose was to ascertain the parent's willingness to let their child participate. All parents were debriefed and informed of the true purpose of the study and asked to complete a survey themselves to help understand factors that influenced their initial decision of whether to consent. Bivariate tests and logistic regression were used to evaluate unadjusted and adjusted associations between parent and patient characteristics and parental consent decision.

Results

We approached 431 eligible parents about the hypothetical research study involving their children, and 386 (89.6%) consented for their children to participate. After the debriefing, 392 (91.0%) parents consented to complete the parental survey. We observed statistically significant associations between shorter length of ED stay to approach for consent for the study (P = 0.048) as well as longer travel time (P = 0.03) and willingness to consent in bivariate analysis, though this did not hold in regression analysis. Regression analysis revealed parents of children who have previously participated in research had 79 times lower odds of consenting to participate in our study adjusted for parent race, ethnicity, actual and perceived length of stay, travel

time to the ED, and altruism.

Conclusions

A high proportion of parents consented to their child participating in research in our ED with previous child participation in research being associated with lower odds of parental consent even when adjusted for other factors. Our findings may inform future research practices and studies investigating parental perceptions and motivations surrounding research studies.
Simulation of Full HIV Cluster Networks in a Nationally Representative Model Indicates Intervention Opportunities
Authors: France Anne Marie , Panneer Nivedha , Farnham Paul G. , Oster Alexandra M. , Viguerie Alex , Gopalappa Chaitra
Published: February 2024

Background:

Clusters of rapid HIV transmission in the United States are increasingly recognized through analysis of HIV molecular sequence data reported to the National HIV Surveillance System. Understanding the full extent of cluster networks is important to assess intervention opportunities. However, full cluster networks include undiagnosed and other infections that cannot be systematically observed in real life.

Methods:

We replicated HIV molecular cluster networks during 2015–2017 in the United States using a stochastic dynamic network simulation model of sexual transmission of HIV. Clusters were defined at the 0.5% genetic distance threshold. Ongoing priority clusters had growth of ≥3 diagnoses/year in multiple years; new priority clusters first had ≥3 diagnoses/year in 2017. We assessed the full extent, composition, and transmission rates of new and ongoing priority clusters.

Results:

Full clusters were 3–9 times larger than detected clusters, with median detected cluster sizes in new and ongoing priority clusters of 4 (range 3–9) and 11 (range 3–33), respectively, corresponding to full cluster sizes with a median of 14 (3–74) and 94 (7–318), respectively. A median of 36.3% (range 11.1%–72.6%) of infections in the full new priority clusters were undiagnosed. HIV transmission rates in these clusters were >4 times the overall rate observed in the entire simulation.

Conclusions:

Priority clusters reflect networks with rapid HIV transmission. The substantially larger full extent of these clusters, high proportion of undiagnosed infections, and high transmission rates indicate opportunities for public health intervention and impact.
Bile Chemistry During Ex Situ Normothermic Liver Perfusion Does Not Always Predict Cholangiopathy
Authors: Watson Christopher J.E. , Gaurav Rohit , Swift Lisa , Fear Corrina , Allison Michael E.D. , Upponi Sara S. , Brais Rebecca , Butler Andrew J.
Published: February 2024

Background.

Bile chemistry during normothermic ex situ liver perfusion (NESLiP) has been suggested to be an indicator of cholangiopathy. The normal range of biochemical variables in bile of livers undergoing NESLiP has not been defined, nor have published biliary viability criteria been assessed against instances of posttransplant nonanastomotic bile strictures (NASs).

Methods.

The bile and perfusate chemistry of 200 livers undergoing NESLiP between February 1, 2018, and October 30, 2023, was compared. In addition, 11 livers that underwent NESLiP and later developed NAS were selected and their bile chemistry was also examined.

Results.

In livers that did not develop cholangiopathy, concentrations of sodium, potassium, and chloride were slightly higher in bile than in perfusate, whereas the concentration of calcium was slightly lower. Bile was alkali and had a lower glucose concentration than perfusate. Cholangiocyte glucose reabsorption was shown to saturate at high perfusate concentrations and was more impaired in livers donated after circulatory death than in livers donated after brain death. Published criteria failed to identify all livers that went on to develop NASs.

Conclusions.

A significant false-negative rate exists with current biliary viability criteria, probably reflecting the patchy and incomplete nature of the development of NASs in the biliary tree. The data presented here provide a benchmark for future assessment of bile duct chemistry during NESLiP.
Risk of Adverse Events Following Monovalent Third or Booster Dose of COVID-19 mRNA Vaccination in U.S. Adults Ages 18 Years and Older
Authors: Shoaibi Azadeh , Matuska Kathryn , Lloyd Patricia C. , Wong Hui Lee , Gruber Joann F. , Clarke Tainya C. , Cho Sylvia , Lassman Emily , Lyu Hai , McEvoy Rowan , Wan Zhiruo , Hu Mao , Akhtar Sandia , Jiao Yixin , Chillarige Yoganand , Beachler Daniel , Secora Alex , Selvam Nandini , Djibo Djeneba Audrey , McMahill Walraven Cheryl N , Seeger John D. , Amend Kandace L. , Song Jennifer , Clifford Robin , Kelman Jeffrey A. , Forshee Richard A. , Anderson Steven A.
Published: February 2024

Background

The U.S. FDA authorized the monovalent third primary series or booster doses of COVID-19 mRNA vaccines in August 2021 for persons 18 years and older. Monitoring of outcomes following updated authorizations is critical to evaluate vaccine safety and can provide early detection of rare adverse events (AEs) not identified in pre-licensure trials.

Methods

We evaluated the risk of 17 AEs following third doses of COVID-19 mRNA vaccines from August 2021 through early 2022 among adults aged 18-64 years in three commercial databases (Optum, Carelon Research, CVS Health) and adults aged >65 years in Medicare Fee-For-Service. We compared observed AE incidence rates to historical (expected) rates prior to the pandemic, estimated incidence rate ratios (IRRs) for the Medicare database and pooled IRR across the three commercial databases. Analyses were also stratified by prior history of COVID-19 diagnosis. Estimates exceeding a pre-defined threshold were considered statistical signals.

Results

Four AEs met the threshold for statistical signals for BNT162b2 and mRNA-1273 vaccines including Bell’s Palsy and pulmonary embolism in Medicare, and anaphylaxis and myocarditis/pericarditis in commercial databases. Nine AEs and three AEs signaled among adults with and without prior COVID-19 diagnosis, respectively.

Conclusions

This early monitoring study identified statistical signals for AEs following third doses of COVID-19 mRNA vaccination. Since this method is intended for screening purposes and generates crude results, results do not establish a causal association between the vaccines and AEs. FDA’s public health assessment remains consistent that the benefits of COVID-19 vaccination outweigh the risks of vaccination.
A Comparative Study for Blockchain Applications in Nursing Informatics
Authors: Kim Haeun , Lee Claire , Pendyala Diya , Ng Angela , Kuo Tsung-Ting
Published: February 2024

We explored blockchain’s applications in nursing informatics, highlighting its potential to improve patient care and data management. We compared and analyzed eight studies focusing on blockchain in Electronic Health Records (EHR) management, nursing optimization, and research facilitation. Although most of these studies are in the proposal stage, blockchain’s technical features show promise in enhancing nursing practices and supporting nursing informatics researchers with the integration of technologies.
Lower perceived social support is significantly associated with elevated levels of psychological distress in racially and ethnically diverse close family members of cardiac arrest survivors
Authors: Yuan Mina , Tincher Isabella M , Sachdeva Bhanvi , Abukhadra Sabine , Rojas Danielle A , DeForge Christine , Agarwal Sachin
Published: February 2024

Background

Poor perceived social support has been associated with worse psychological distress in close family members after their loved one’s hospitalization with prolonged mechanical ventilation, but never been tested after cardiac arrest.

Methods

Close family members of consecutive cardiac arrest patients hospitalized at an academic tertiary care center were recruited before hospital discharge, and perceived social support was assessed using the Multidimensional Scale of Perceived Social Support (MSPSS). Indicators of psychological distress were administered via telephone at 1 month after cardiac arrest. Multivariate linear regressions were used to estimate the associations between MSPSS total score and total Patient Health Questionnaire-8 (PHQ-8) score (primary outcome) and total PTSD (PCL-5) and generalized anxiety (GAD-2) scores, after adjusting for previously known covariates.

Results

Of 102 close family members (mean age 52 ± 15 years, 70% female, 40% non-Hispanic white, 21% Black, 33% Hispanic/Latinx, 22% with pre-existing psychiatric illness) with complete data, the mean PHQ-8 total score at a median duration of 28.5 days (interquartile range 10-63 days) from cardiac arrest was 7± 6, and the mean MSPSS score was 69 ± 15. Lower perceived social support was significantly associated with elevated levels of depressive symptoms in univariate (β=–0.11; p<0.01) and after adjusting for age, sex, race/ethnicity, and previous psychiatric history (β=–0.11; p<0.01). Similar inverse associations were seen with 1 month PTSD and generalized anxiety symptoms as secondary outcomes.

Conclusions

Close family members of cardiac arrest survivors’ perception of poor social support during hospitalization is associated with increased levels of depressive symptoms at 1 month. Longitudinal studies understanding the temporal associations between social support and psychological distress are warranted.
Binding Site Maturation Modulated by Molecular Density Underlies Ndc80 Binding to Kinetochore Receptor CENP-T
Authors: Tarasovetc Ekaterina V. , Sissoko Gunter B. , Maiorov Aleksandr , Mukhina Anna S. , Ataullakhanov Fazoil I. , Cheeseman Iain M. , Grishchuk Ekaterina L.
Published: February 2024

Macromolecular assembly depends on tightly regulated pairwise binding interactions that are selectively favored at assembly sites while being disfavored in the soluble phase. This selective control can arise due to molecular density-enhanced binding, as recently found for the kinetochore scaffold protein CENP-T. When clustered, CENP-T recruits markedly more Ndc80 complexes than its monomeric counterpart, but the underlying molecular basis remains elusive. Here, we use quantitativein vitroassays to reveal two distinct mechanisms driving this behavior. First, Ndc80 binding to CENP-T is a two-step process: initially, Ndc80 molecules rapidly associate and dissociate from disordered N-terminal binding sites on CENP-T. Over time, these sites undergo maturation, resulting in stronger Ndc80 retention. Second, we find that this maturation transition is regulated by a kinetic barrier that is sensitive to the molecular environment. In the soluble phase, binding site maturation is slow, but within CENP-T clusters, this process is markedly accelerated. Notably, the two Ndc80 binding sites in human CENP-T exhibit distinct maturation rates and environmental sensitivities, which correlate with their different amino-acid content and predicted binding conformations. This clustering-induced maturation is evident in dividing human cells, suggesting a distinct regulatory entry point for controlling kinetochore assembly. We propose that the tunable acceleration of binding site maturation by molecular crowding may represent a general mechanism for promoting the formation of macromolecular structures.

Significance Statement

A distinctive mechanism of protein-protein interaction underpins the assembly of kinetochores, which is critical for human cell division. During mitosis, the Ndc80 complex must bind tightly to the unstructured N-terminus of its receptor, CENP-T, which is densely clustered at kinetochores. Using single-moleculein vitroassays, we show that Ndc80 binding is mediated by an initially unstable yet tunable interface. The high molecular density of CENP-T at the kinetochores accelerates the maturation of this binding interface, favoring the formation of stable complexes within the kinetochore structure, rather than in the soluble phase. This environment-driven modulation of binding site maturation may represent a key regulatory mechanism for ensuring strong and specific interactions during the assembly of macromolecular complexes such as kinetochores.
Revolutionizing GPCR-Ligand Predictions: DeepGPCR with experimental Validation for High-Precision Drug Discovery
Authors: Zhang Haiping , Fan Hongjie , Wang Jixia , Hou Tao , Saravanan Konda Mani , Xia Wei , Kan Hei Wun , Li Junxin , Zhang John Z.H. , Liang Xinmiao , Chen Yang
Published: February 2024

G-protein coupled receptors (GPCRs), crucial in various diseases, are targeted of over 40% of approved drugs. However, the reliable acquisition of experimental GPCRs structures is hindered by their lipid-embedded conformations. Traditional protein-ligand interaction models falter in GPCR-drug interactions, caused by limited and low-quality structures. Generalized models, trained on soluble protein-ligand pairs, are also inadequate. To address these issues, we developed two models, DeepGPCR_BC for binary classification and DeepGPCR_RG for affinity prediction. These models use non-structural GPCR-ligand interaction data, leveraging graph convolutional networks (GCN) and mol2vec techniques to represent binding pockets and ligands as graphs. This approach significantly speeds up predictions while preserving critical physical-chemical and spatial information. In independent tests, DeepGPCR_BC surpassed Autodock Vina and Schrödinger Dock with an AUC of 0.72, accuracy of 0.68, and TPR of 0.73, whereas DeepGPCR_RG demonstrated a Pearson correlation of 0.39 and RMSE of 1.34. We applied these models to screen drug candidates for GPR35 (Q9HC97), yielding promising results with 3 (F545-1970, K297-0698, S948-0241) out of 8 candidates. Furthermore, we also successfully obtained 6 active inhibitors for GLP-1R. Our GPCR-specific models pave the way for efficient and accurate large-scale virtual screening, potentially revolutionizing drug discovery in the GPCR field.
Ca3Ru2O7
: Interplay among degrees of freedom and the role of the exchange correlation
Authors: León A. M , González J. W. , Rosner H.
Published: February 2024

Ca3Ru2O7 is a fascinating material that displays physical properties governed by spin-orbit interactions and structural distortions, showing a wide range of remarkable electronic phenomena. Here, we present a density-functional-based analysis of the interplay among degrees of freedom, such as magnetism, Coulomb repulsion (Hubbard U), and structural degrees of freedom, considering two exchange-correlation methods: local density approximation (LDA) and Perdew-Burke-Ernzerhof revised for solids (PBEsol). Our goal is twofold: first, to present a brief overview of the current state of the art on this compound underpinning to the last proposed theoretical models and experimental research, and second, to provide an alternative interpretation of the electronic properties compared with the previous theoretical models. Our findings show that Ca3Ru2O7 displays several electronic states (metal, semimetal, and narrow insulator) as a function of Hubbard U while it exhibits structural transition depending on the functional. We disentangle the effect of the different degrees of freedom involved, clarifying the role of exchange correlation in the observed electronic and structural transitions.

Published by the American Physical Society
2024
Wine quality assessment through lightweight deep learning: integrating 1D-CNN and LSTM for analyzing electronic nose VOCs signals
Authors: Nguyen Quoc Duy Nam , Le Hoang Viet Anh , Nakano Tadashi , Tran Thi Hong
Published: February 2024

Purpose

In the wine industry, maintaining superior quality standards is crucial to meet the expectations of both producers and consumers. Traditional approaches to assessing wine quality involve labor-intensive processes and rely on the expertise of connoisseurs proficient in identifying taste profiles and key quality factors. In this research, we introduce an innovative and efficient approach centered on the analysis of volatile organic compounds (VOCs) signals using an electronic nose, thereby empowering nonexperts to accurately assess wine quality.

Design/methodology/approach

To devise an optimal algorithm for this purpose, we conducted four computational experiments, culminating in the development of a specialized deep learning network. This network seamlessly integrates 1D-convolutional and long-short-term memory layers, tailor-made for the intricate task at hand. Rigorous validation ensued, employing a leave-one-out cross-validation methodology to scrutinize the efficacy of our design.

Findings

The outcomes of these e-demonstrates were subjected to meticulous evaluation and analysis, which unequivocally demonstrate that our proposed architecture consistently attains promising recognition accuracies, ranging impressively from 87.8% to an astonishing 99.41%. All this is achieved within a remarkably brief timeframe of a mere 4 seconds. These compelling findings have far-reaching implications, promising to revolutionize the assessment and tracking of wine quality, ultimately affording substantial benefits to the wine industry and all its stakeholders, with a particular focus on the critical aspect of VOCs signal analysis.

Originality/value

This research has not been published anywhere else.
Industry 4.0 implementation for multinationals: a case study
Authors: Buhulaiga Eyad , Telukdarie Arnesh
Published: February 2024

Purpose

Multinational business deliver value via multiple sites with similar operational capacities. The age of the Fourth Industrial Revolution (4IR) delivers significant opportunities for the deployment of digital tools for business optimization. Therefore, this study aims to study the Industry 4.0 implementation for multinationals.

Design/methodology/approach

The key objective of this research is multi-site systems integration using a reproducible, modular and standardized “Cyber Physical System (CPS) as-a-Service”.

Findings

A best practice reference architecture is adopted to guide the design and delivery of a pioneering CPS multi-site deployment. The CPS deployed is a cloud-based platform adopted to enable all manufacturing areas within a multinational energy and petrochemical company. A methodology is developed to quantify the system environmental and sustainability benefits focusing on reduced carbon dioxide (CO2) emissions and energy consumption. These results demonstrate the benefits of standardization, replication and digital enablement for multinational businesses.

Originality/value

The research illustrates the ability to design a single system, reproducible for multiple sites. This research also illustrates the beneficial impact of system reuse due to reduced environmental impact from lower CO2 emissions and energy consumption. The paper assists organizations in deploying complex systems while addressing multinational systems implementation constraints and standardization.
Challenging the dominant narratives: faculty members’ perceptions of administrators’ responses to Critical Race Theory bans
Authors: Briscoe Kaleb L. , Jones Veronica A.
Published: February 2024

Purpose

Legislators continue to label Critical Race Theory (CRT) and other race-based concepts as divisive. Nevertheless, CRT, at its core, is committed to radical transformation and addressing issues of race and racism to understand how People of Color are oppressed. Through rhetoric and legislative bans, this current anti-CRT movement uses race-neutral policies and practices to limit and eliminate CRT scholars, especially faculty members, from teaching and researching critical pedagogies and other race-based topics.

Design/methodology/approach

Through semi-structured interviews using Critical Race Methodology (CRM), the authors sought to understand how 40 faculty members challenged the dominant narratives presented by administrators through their responses to CRT bans. Additionally, this work aimed to examine how administrators’ responses complicate how faculty make sense of CRT bans.

Findings

Findings describe three major themes: (1) how administrators failed to respond to CRT bans, which to faculty indicated their desire to present a neutral stance as the middle ground between faculty and legislators; (2) the type of rhetoric administrators engaged in exemplified authoritarian approaches that upheld status quo narratives about diversity, exposing their inability to stand against oppressive dominant narratives; and (3) institutional leaders’ refusal to address the true threats that faculty members faced reinforced the racialized harm that individuals engaging in CRT work must navigate individually.

Originality/value

This study is one of the few that provide empirical data on this current anti-CRT movement, including problematizing the CRT bans, and how it affects campus constituents such as faculty members.
How relevant is the individual’s levels of innovativeness in the investment decisions in equity crowdfunding campaigns?
Authors: Salvi Antonio , Boscia Vittorio , Nirino Niccolò , Alam Gazi Mahabubul , Petruzzella Felice
Published: February 2024

Purpose

This study investigates the relationship between the individual’s levels of innovativeness (ILI) and the individual’s intention to finance (IIF) an equity crowdfunding campaign to understand whether and to what extent individuals' personalities (IP) can foster crowdfunding success.

Design/methodology/approach

OLS models are applied based on survey data collected from 385 US and UK citizen respondents. Further, the baseline relationship between ILI and IIF is broken down on the basis of the interactions with two behavioral characteristics: proactive personality (PP) and openness to experience (OE).

Findings

Results show a positive relationship between individual’s levels of innovativeness and the individual’s intention to finance an equity crowdfunding campaign. Furthermore, this relationship continues to be positive when moderators are introduced in the models, demonstrating that PP and OE are personal traits that strengthen the main relationship.

Originality/value

Our findings contribute to enriching the stream of literature according to which equity crowdfunding is a helpful tool not only able to bridge the financial gap of companies during the first phase of their life cycle. The findings also contribute to the development of the innovation process, creating also a social identity within the crowdfunding community.
Sourcing approach for facilities management services in social housing within the semi-arid climate of Nigeria
Authors: Modu Mala Ali , Sapri Maimunah , Muin Zafirah Ab
Published: February 2024

Purpose

The provision of facilities management (FM) services, facilitated by a well-suited sourcing strategy, significantly influences the optimization of dwelling unit performance, augmentation of occupants’ living experiences and the establishment of a secure and comfortable environment. Consequently, this study aims to examine the sourcing approach used for delivering FM services in social housing within Nigeria’s semi-arid climate and to assess the effectiveness of the chosen sourcing approach in the provision of FM services.

Design/methodology/approach

Data collection involved one-on-one interviews conducted with five principal/senior staff members of the Borno State Housing Corporation in Maiduguri, Northern Nigeria. For data analysis, the NVivo R1 software package and Stata 13.0 were used. Thematic analysis was applied to the data, and the findings were presented through narrations and direct quotes from participants. Logistic regression analysis was subsequently used to assess the effectiveness of the adopted in-house approach in providing FM services in the context of social housing.

Findings

Administrators of social housing in the semi-arid climate of Nigeria exclusively adopted an in-house sourcing approach for providing FM services. Nevertheless, the in-house approach was conclusively determined to be ineffective in delivering FM services within the specific context of social housing in the semi-arid climate of Nigeria.

Originality/value

This investigation centred on examining the sourcing strategy used by social housing administrators for delivering FM services in social housing within a semi-arid climate of Nigeria. Additionally, the study delved into evaluating the efficacy of the chosen sourcing approach in the actual provision of FM services.
Do workplace practices really matter? Role of ostracism and dehumanization at the workplace and psychological well-being of employees
Authors: Srivastava Shalini , Dhir Swati
Published: February 2024

Purpose

This study aims to explore the dynamics of workplace ostracism and dehumanization behavior and its impact on employees’ psychological contract violation, their revenge intention and psychological well-being.

Design/methodology/approach

The study has collected data from 329 IT sector employees working in the northern part of India using standard measures for various constructs utilized in the study. For the purpose of testing the proposed hypothesis, partial least square structural equation modeling is used.

Findings

The results show that all the hypotheses were supported, meaning employees experiencing ostracism and dehumanization at the workplace feel stressed and anxious and develop feelings of revenge, leading them to experience irrational feelings.

Practical implications

In the presence of workplace dehumanization and workplace ostracism, employees may experience stress, anxiety and depression. Managers must ensure a psychologically safe environment because if individuals experience ostracism or dehumanization at the workplace, they are going to affect their well-being through revenge intention behavior. Hence, it is important that managers should provide adequate resources to the employees so that they can feel psychologically safe in the workplace and hence can enhance psychological well-being.

Originality/value

This study is unique in terms of its contribution to the existing literature by understanding the nuances of workplace ostracism and dehumanization on employee’s well-being. The study also contributes to highlighting the advantages of using tools to establish psychological safety.
An optical-based measurement method for center distance between two double-hole components
Authors: Liu Heng , Lu Yonghua , Yang Haibo , Zhou Lihua , Feng Qiang
Published: February 2024

Purpose

In the context of fixed-wing aircraft wing assembly, there is a need for a rapid and precise measurement technique to determine the center distance between two double-hole components. This paper aims to propose an optical-based spatial point distance measurement technique using the spatial triangulation method. The purpose of this paper is to design a specialized measurement system, specifically a spherically mounted retroreflector nest (SMR nest), equipped with two laser displacement sensors and a rotary encoder as the core to achieve accurate distance measurements between the double holes.

Design/methodology/approach

To develop an efficient and accurate measurement system, the paper uses a combination of laser displacement sensors and a rotary encoder within the SMR nest. The system is designed, implemented and tested to meet the requirements of precise distance measurement. Software and hardware components have been developed and integrated for validation.

Findings

The optical-based distance measurement system achieves high precision at 0.04 mm and repeatability at 0.02 mm within a range of 412.084 mm to 1,590.591 mm. These results validate its suitability for efficient assembly processes, eliminating repetitive errors in aircraft wing assembly.

Originality/value

This paper proposes an optical-based spatial point distance measurement technique, as well as a unique design of a SMR nest and the introduction of two novel calibration techniques, all of which are validated by the developed software and hardware platform.
Does resource richness help in uplifting the economic status of resource‐abundant developing countries? Evidence from Organization of Petroleum Exporting Countries using method of moments quantile regression
Authors: Zheng Xingpeng , Mousa Saeed , Mat Nawi Hafizah , Nawaz Muhammad Atif , Hanif Sobia
Published: February 2024

It has been clearly shown that despite having an abundance of natural resources, several resource‐rich countries have experienced slower economic growth that makes it challenging for them to use these resources as a driver of growth. The relationship between economic growth and natural resources has remained an issue of debate over the decades. However, the question of natural resources being a curse or blessing for resource‐abundant economies is still unanswered and gathered the attention of many researchers. The goal of the present study is to provide fresh insights on the matter by estimating the relationship between economic growth, oil resources and natural resources in top oil‐rich Organization of Petroleum Exporting Countries (OPEC) over the 1990–2020 period. The augmented mean group (AMG) and recently introduced method of moments quantile regression (MMQR) are applied in the study for empirical estimation as the cross sectional dependence and slope heterogeneity are present in data series. The findings of both AMG and MMQR regressions show that oil resource richness does not contribute to uplifting the economic status of the studied countries. However, opposite findings are found for natural resources. Moreover, Granger causality analysis shows that unidirectional causal association is present between natural resources and economic growth but oil resources and economic growth have no causal relationship. It is concluded from the findings that the oil resources confirm the resource curse hypothesis, whereas natural resources confirm the resource bless hypothesis. The findings recommend the policymakers and government to enact adequate policies to connect rent‐based industries to other sectors and improvements in the financial sector to make an avenue for rents to effect economic growth. Most importantly, the government is recommended to pair these measures with anti‐corruption policies to ensure the sustainable use of the resources.
Unusual approach to treat malocclusion with traumatically missing and hopeless maxillary unilateral incisors: A case report
Authors: Li Kun , Qin Hanglin , Wang Junjie , Xing Xiujin
Published: February 2024

Orthodontic cases requiring tooth extraction sometimes involve post‐traumatic incisors. For adolescent cases in which trauma causes the maxillary unilateral incisors to be missing or have poor prognoses, it is worth considering these teeth as candidates for extraction, and this unusual approach is seldom reported in the literature. An adolescent patient with a missing maxillary left lateral incisor and an ankylosed maxillary left central incisor sought treatment for dental protrusion and crowding. An unusual orthodontic approach was used, which involved the extraction of the maxillary left central incisor and mandibular first premolars. After treatment, the maxillary right central incisor was successfully translocated across the midpalatal suture and transformed into the left central incisor. Additionally, well‐aligned teeth and enhanced smile aesthetics were achieved, and the treatment outcomes remained stable throughout the follow‐up period.
Sustainable supply chain governance: A literature review
Authors: Nguyen Linh Thuy , Zuidwijk Rob
Published: February 2024

Governance is one of the core concepts underlying sustainable supply chain (SC). Although governance practices are widely acknowledged and implemented, literature discussing those practices is not as thoroughly organized. The purpose of this paper is therefore to investigate the forms, dynamics, and development of sustainable supply chain governance (SSCG). We reviewed a total of 126 articles in operations and SC management peer‐reviewed journals spanning 15 years of recent research. Our literature analysis unveils several key themes concerning the popularity of contractual and relational governance, the role of SC lead firms, the network perspective, and the dynamics of governance mechanisms. At a higher conceptual level, we conclude that there exists a mutually dependent relationship between SSCG and SC complexity. The study summarizes and conceptualizes the recent scholarly conversations about SSCG and offers an agenda for further research.