bluuebunny/crossref_metadata_2025 huggingface dataset:
A prospective observational study on microbiological isolation in low‐profile gastrostomy's feeding extension sets in children on long‐term home enteral nutrition
Authors: Rodriguez‐Manchon Silvia , Sanchez Fernandez‐Bravo Carmen , Hernández‐Milán Belén , Cañedo‐Villarroya Elvira , Alonso‐Sanz Mercedes , Pedron‐Giner Consuelo
Published: November 2024

Background

Although reuse of enteral feeding equipment has been linked to risk of microbial contamination and risk of infection, there is a paucity of research in this area. Per the manufacturer's instructions low‐profile gastrostomy feeding extension sets (LPG‐FES) may be reusable for the same patient, but there are no recommendations on replacement intervals.

Methods

We conducted a prospective observational study to analyze and compare the contamination rate of LPG‐FES after 15 (T1) and after 30 days (T2) of regular use. We included children 2–18 years of age exclusively receiving long‐term home enteral nutrition (HEN) via LPG.

Results

We included 17 patients with a median age of 5 years (interquartile range: 3–8 years). We did not find statistically significant differences in microbial overgrowth comparing LPG‐FES obtained after 15 or 30 days of use, although overgrowth was slightly higher in LPG‐FES used for 30 days (64.7% and 70.6% vs 52.9% and 58.8%). Every patient presented at least one positive culture, either in T1 or T2. Candida parapsilosis was globally the most frequent microbiological finding. We found no relation between duration of HEN and type of feeding and positive culture at T1 and T2. We found no symptoms of local nor systemic infection during the study period.

Conclusion

Despite the high rate of microbial overgrowth in the LPG‐FES, no patient had clinical symptoms of infection secondary to this finding. Microbiological isolation in FES may represent only a form of contamination without clinical implications, which raises doubts on possible LPG‐FES dwell times.
Inhibitory effects of the selective μ‐opioid receptor antagonist UD‐030 on methamphetamine‐induced conditioned place preference
Authors: Ide Soichiro , Iwase Noriaki , Arai Kenichi , Kojima Masahiro , Ushiyama Shigeru , Ikeda Kazutaka
Published: November 2024

Although methamphetamine (METH) and other addictive substance use disorders are a major social problem worldwide, appropriate pharmacotherapies have not yet been discovered. Subtype‐nonselective opioid receptor antagonists, such as naltrexone (NTX), have been reported to suppress METH addiction, but unclear are the opioid receptor subtypes that are involved in this beneficial effect. To clarify the role of μ‐opioid receptors (MOPs), we examined effects of the novel nonpeptidic MOP‐selective antagonist UD‐030 on the acquisition and expression of METH‐induced conditioned place preference (CPP) using behavioral tests in C57BL/6J mice. UD‐030 was found to inhibit both the acquisition and expression of METH‐induced CPP in a dose‐dependent manner, with effects comparable to those observed with NTX. These findings suggest that UD‐030 has the potential to mitigate METH‐related reward mechanisms and may serve as a promising candidate for MOP‐selective pharmacotherapy targeting METH addiction.
Current status and features of antipsychotic prescriptions in Japanese forensic psychiatric wards based on a forensic inpatient database
Authors: Takeda Koji , Kashiwagi Hiroko , Takanobu Keisuke , Kubota Ryotaro , Naoe Ryo , Yamada Yuji , Koike Junko , Kono Toshiaki , Kako Yuki , Hirabayasi Naotsugu
Published: November 2024

Aim

Psychopharmacotherapy plays an important role in the treatment of mentally disordered offenders (MDOs) with schizophrenia spectrum disorders. However, there have been few large‐scale reports from multiple forensic psychiatric wards. This study aimed to clarify the current state of antipsychotic medications for MDOs with schizophrenia spectrum disorders in Japanese forensic psychiatric wards.

Methods

Medical information, including age, sex, psychiatric diagnosis, index offense, seclusion or restraint experience during hospitalization, and medication for patients discharged from 32 forensic wards nationwide between September 1, 2019 and December 31, 2021 was provided by the Database Scientific Utilization Project of Japanese forensic psychiatric wards. We analyzed the data of MDOs with schizophrenia spectrum disorders who were prescribed psychotropic medications at the time of discharge, especially focusing on comparing differences between the three groups (clozapine, long‐acting injection (LAI), and other medications).

Results

A total of 362 MDOs with schizophrenia spectrum disorders were prescribed psychotropic medications at discharge. The prescription rates of clozapine and LAI were 23.2% and 24.9%, respectively. Additionally, the rate of antipsychotic polypharmacy was 37.8%. Among the three groups, the clozapine group had the highest rate of seclusion experience (46.4%), a long mean length of hospitalization (1758 days), and the lowest rate of antipsychotic polypharmacy (4.8%). Olanzapine was the most commonly prescribed antipsychotic medication.

Conclusion

This study revealed the current state of antipsychotic medications for MDOs admitted to forensic psychiatric wards in Japan. Future studies are needed to clarify the relevance of antipsychotic medications in the prognosis of MDOs.
Human Mobility in NW Iran During the Early Iron Age (c. 1250–850 bce): The Strontium Isotope Evidence From Masjed‐e Kabud Cemetery
Authors: Ahmadzadeh Solmaz , Nobari Alireza Hejebri , Sołtysiak Arkadiusz
Published: November 2024

The transition from the Bronze Age to the Iron Age is one of the most discussed topics in the archaeology of Iran. This includes the processes that led to the formation of the Mannaean Kingdom in the northwestern part of the country, which is considered a forerunner of the famous Median Empire. Here, we investigate the pattern of migration during the four centuries preceding the establishment of the Mannaean Kingdom. The 87Sr/86Sr values were measured in enamel of early developing permanent teeth (first molars and incisors) in a sample of 28 individuals of both sexes from Masjed‐e Kabud cemetery (modern Tabriz). Only two individuals have non‐local strontium isotope values; however, they might have been inhabitants of the region located just a few kilometers south of the cemetery. No evidence of long‐distance migration was identified, suggesting that the establishment of the early states in this region was not a consequence of migration, but rather of social development in the local population.
Moisture Sorption by Low‐Cost Pyridinium‐Based Protic Ionic Liquids: Kinetics and Physico‐Electrochemical Properties
Authors: Muhammad Sayyar , Najia  , Ali Zarshad , Aziz Samina , Hammad Khan Muhammad , Iqbal Maroosh , Hassan Umair , Khan Jalal , Ali Asad
Published: November 2024

We report the synthesis of two pyridinium‐based room temperature protic ionic liquids (PILs), pyridinium bisulfate, [HPyr][HSO4] and pyridinium sulphate, [HPyr]2[SO4] and investigation of the kinetics of their water sorption behaviour and its influence on their density, ionic conductivity, and potential windows. The PILs were synthesized by the reaction of pyridine base with an acid, H2SO4, under solventless conditions, and confirmed by FTIR spectroscopy and 1H NMR spectra. The appearance vibration bands in the 3095–3252 cm−1 range for −NH+ stretching in the FTIR spectra and a peak at a chemical shift of 8.439 ppm in the 1H‐NMR of the liquids confirm their synthesis as no such bands/peaks can be seen in that of the pure pyridine spectra. The PILs’ hygroscopic nature was examined by exposing them (5 mL each sample with exposed surface area 3.143 cm2) to air for varied time intervals at a relative humidity, RH=58±5 % and T=20±5 °C. Coulometric Karl‐Fischer (KF) titration was used to determine how much moisture each PIL sample absorbed at each time interval. The findings reveal that when the PIL was exposed to air for longer periods of time, more moisture was absorbed, and the results correspond well with the pseudo first‐order kinetic model. The densities and conductivities of several samples of the two PILs were examined, and it was discovered that as the percentage water content of the PILs grew, density decreased but conductivities increased. Furthermore, it was discovered that when temperature rose, the conductivity of each of the PILs increased, and the results fit well to the Arrhenius linear equation since the regression coefficient, R2, for each of the samples approached the perfect fit value of one. The electrochemical window (EW) data, the mechanism of moisture oxidation within the EWs of each PIL at Pt and Au electrodes, and the electrocatalytic role played by the Pt and Au surface oxides during ethanol oxidation are evaluated and discussed in light of their future sustainable energy applications.
A Blocked Mercapto Silane Functionalized Silica Decorated‐Aramid Nanofiber to Evolve Elastomer/Silica Composite for Energy‐Efficient Tire
Authors: Das Saikat , Bhowmick Anil K. , Chattopadhyay Santanu
Published: November 2024

In situ generated nanosilica particles were grafted onto aramid nanofibers while modified with a blocked mercapto silane (3‐Octanoylthio‐1‐propyltriethoxysilane). Nanofibers were derived from macro aramid fibers (poly (p‐phenylene terephthalamide)). Fourier‐transform infrared spectroscopy and x‐ray photoelectron spectroscopy revealed that the direct condensation reaction between the silane's ethoxy groups and the nanofiber's hydroxyl or carboxylic groups forms SiO‐C bonds. Morphological analysis of nanofibers revealed the formation of nanosilica from unreacted residual silane on the modified nanofiber (A‐NM) surface. In situ silica formation caused SiOSi bond formation, according to the spectroscopic analysis. Styrene butadiene rubber‐silica composites with modified nanofiber additive were prepared. The bound rubber content and filler flocculation rate displayed an improvement in nanofiber dispersion and rubber‐nanofiber interaction after silane modification. Mechanical characteristics of the composites improved after rubber and modified nanofiber interaction, dispersion, and strengthening. The nanofibers evenly distributed during mixing, as proven by morphological analysis of composites. Incorporation of 1 phr of A‐NM increased tensile strength by 16% and abrasion resistance by 3.1%. Composite's rolling resistance indicator (6.2%) and winter traction indicator increased at high temperatures with 1 phr of A‐NM loading. This specialized filler decorated nanofibers could be used as energy‐efficient tire additives as an alternative to other trendy commercial materials.
Post‐Marketing Safety of Ustekinumab Based on 14‐Year Follow‐Up in Danish National Patient Data
Authors: Kim Sejun , Jensen Andreas , Egeberg Alexander , Stensballe Lone Graff
Published: November 2024

Purpose

Psoriasis (PsO), a chronic inflammatory skin disorder affecting a substantial proportion of populations globally, often necessitates systemic treatment including biologics. This 14‐year cohort study, based on Danish national register data, aimed to investigate the enduring safety profile of ustekinumab compared to other systemic psoriasis treatments.

Methods

Using comprehensive Danish national register data, this study scrutinized patients diagnosed with psoriasis or psoriatic arthritis (PsA) who received ustekinumab. The treatment group comparators were non‐biological systemic treatment (non‐biologic), tumor necrosis factor α inhibitor medicine groups (TNF‐α), interleukin (IL)‐17 inhibitors (IL‐17), and IL‐23 inhibitors (IL‐23). The study periods for comparisons were 2009–2022 for non‐biologic and TNF‐α, 2015–2022 for IL‐17, and 2018–2022 for IL‐23. Outcomes were malignancies, cardiovascular events, serious infections, and serious hypersensitivity reactions. Cox proportional hazards regression models were employed to analyze two estimands: a standard intention‐to‐treat (ITT) estimand and a continuous‐index‐treatment (CIT) estimand, which considered switch and re‐initiation of treatments within individuals.

Results

Users of ustekinumab were found to be younger on average, with an average age of 45.1 years compared to 51.6, 47.2, 49.0, and 48.4 years in the non‐biologic, TNF‐α, IL‐17, and IL‐23 groups, respectively. Also, 57.3% of the ustekinumab users were male, compared to 46.7%, 48.9%, 50.9%, and 58.3% for the non‐biologic, TNF‐α, IL‐17, and IL‐23 groups, respectively. Although the hazard ratio estimates varied across comparators, ustekinumab was found to be safe: regardless of PsA status, no discernible safety signals in terms of malignancy, MACE, severe infections, or severe hypersensitivity reactions were observed for ustekinumab when compared to the treatment comparators.

Conclusions

The present study corroborated the enduring safety of ustekinumab in the context of PsO treatment.
Modulating structural, dielectrical and optical properties of PVA/methylcellulose/WO3 nanocomposites for energy storage and optoelectronics applications
Authors: Aldosari Eman , Atta M. M. , Henaish A. M. A. , Taha E. O. , Weinstein Ilya A. , Zhang Qinfang
Published: November 2024

In this study, different polyvinyl alcohol (PVA)/methylcellulose/WO3 nanocomposites with composition of xPVA‐(100‐x) Methylcellulose (MC)‐2WO3 (where x = 100, 80, 60, 40, 20, and 0 wt%) were prepared successfully by solution casting technique. WO3 nanoparticles were introduced with 2 wt% to enhance the dielectric performance of the PVA/MC blend. The effect of changing PVA/MC weight ratios inside the nanocomposites on the structural, optical, and dielectric properties were studied by X‐ray diffraction (XRD), Fourier Transform Infrared Spectroscopy (FTIR), UV–VIS, and dielectric relaxation spectroscopy. The intensity of the PVA peak was altered randomly with varying MC ratios in the nanocomposites, which indicated disruption of the crystalline phase of PVA. Among nanocomposites, 20PVA‐80MC‐2WO3 showed the highest electrical conductivity, highest dielectric constant, longest relaxation time, and the lowest optical energy band gap due to the increased amorphous phase and disorders. In contrast, 60PVA‐40MC‐2WO3 exhibits the lowest dielectric constant and lowest conductivity, because of its high crystallinity. The decrease in the real part of impedance (Z′) value was seen in samples containing both PVA and MC polymers compared with that containing one polymer species, which attributed to the rise in the proportion of amorphous regions, leading to increased mobility of the polymer chains. Nyquist plots of nanocomposites showed angled spike and semicircle combinations, which are the typical characteristics of ionic conducting materials. Our results show that nanocomposites' PVA/MC ratio may be adjusted for many applications like energy storage, radiofrequency, and optoelectronics.
Aztreonam–avibactam: The dynamic duo against multidrug‐resistant gram‐negative pathogens
Authors: Al Musawa Mohammed , Bleick Callan R. , Herbin Shelbye R. , Caniff Kaylee E. , Van Helden Sean R. , Rybak Michael J.
Published: November 2024

Antimicrobial resistance poses a significant public health challenge, particularly with the rise of gram‐negative hospital‐acquired infections resistant to carbapenems. Aztreonam–avibactam (ATM–AVI) is a promising new combination therapy designed to combat multidrug‐resistant (MDR) gram‐negative bacteria, including those producing metallo‐β‐lactamases (MBLs). Aztreonam, a monobactam antibiotic, is resistant to hydrolysis by MBLs but can be degraded by other β‐lactamases. Avibactam, a novel non‐β‐lactam β‐lactamase inhibitor, effectively neutralizes extended‐spectrum β‐lactamases (ESBLs) and AmpC β‐lactamases, restoring aztreonam's efficacy against resistant pathogens. This review covers the chemistry, mechanisms of action, spectrum of activity, pharmacokinetics, pharmacodynamics, and clinical efficacy of ATM–AVI. ATM–AVI combination has shown efficacy against a wide range of resistant Enterobacterales and other gram‐negative bacteria in both in vitro and clinical studies. Pharmacokinetic and pharmacodynamic analyses demonstrate that ATM–AVI maintains effective drug concentrations in the body, with dose adjustments recommended for patients with renal impairment. Clinical trials, including the REVISIT and ASSEMBLE studies, have demonstrated the safety and efficacy of ATM–AVI in treating complicated intra‐abdominal infections (cIAI), urinary tract infections (UTIs), and hospital‐acquired pneumonia (HAP) caused by MDR gram‐negative pathogens. The European Medicines Agency (EMA) has approved ATM–AVI for these indications, and further research is ongoing to optimize dosing regimens and expand its clinical use. This combination represents a critical advancement in the fight against antimicrobial resistance, offering a new therapeutic option for treating severe infections caused by MDR gram‐negative, including MBL‐producing, bacteria.
Quantitative Prediction of Polymer Dielectric Constants Using an Improved Mathematic Correlation Based on Molecular Polarity Components
Authors: Zhou Gang , Ning Na , Wei Yi
Published: November 2024

The advancement of communication technology has significantly promoted the development of dielectric polymers. However, the quantitative prediction of dielectric constant for rapid material screening is hard due to the low precision of existing theories. In this paper, a new model was developed to calculate the dielectric constants of organic materials through theoretical deduction correlating to the dielectric and polar Hansen solubility parameter (HSP) functions (). This model treated the permanent dipole moments as the primary function determining the dielectric constant and the corresponding polar HSP, which was demonstrated to be in good agreement with experimental data and produced reasonable fitting for organic solvents, thermoplastic polymers, and thermoset polymers, yielding R
2 of 0.7488, 0.8104, and 0.7450, respectively, and it demonstrated better fitting with R
2 of 0.9043 when applied to organic solvents having low hydrogen bonding component (, < 12.5). This new correlation produces the highest accuracy of prediction when compared to the existing models and provides a better mathematical tool to help design and screen dielectric polymers.
LARGE primary spontaneous pneumothorax (2023 French Guidelines definition): Do radiographic size matter in pediatric patients? A comparative analysis
Authors: Zarfati Angelo , Rollo Giovanni , Frediani Simone , Pardi Valerio , Aloi Ivan Pietro , Bertocchini Arianna , Accinni Antonella , Inserra Alessandro
Published: November 2024

Purpose

Our aim was to explore the applicability of the definition of “large” primary spontaneous pneumothorax (PSP) of adult guidelines to pediatric patients.

Methods

We performed a retrospective monocentric analysis of first‐episodes of PSP (Period: January 2010–January 2023). We defined large PSP according to French SPLF/SMFU/SRLF/SFAR/SFCTCV Guidelines. Inclusion criteria: age 1−18 years‐old, follow‐up ≥ 1 year. We performed a comparative analysis between large and nonlarge PSP. We reported the categorical variables as frequencies, and continuous as median and range. We compared categorical variables using Chi‐Square or Fisher test, and continuous using U Mann–Whitney test. p < 0.05 was considered significant.

Results

The population consisted of 49 patients, 15 (30%) with large PSP. We found no significant differences at presentation between large and nonlarge PSP regarding age, sex, side, BMI, oxygen saturation, respiratory rate and hearth rate. Conservative first‐line management was used significantly less for large PSP (26% vs. 82%, p = 0.0003), while drain more (46% vs. 8%, p = 0.005). The groups were similar regarding surgery. Large PSP had a significantly longer hospitalization (7 days vs. 4 days, p = 0.003). The incidence of first‐line management failure was similar between the groups. During the follow‐up, we found no significant differences regarding ipsilateral recurrence (33% vs. 17%, p = 0.275), and contralateral occurrence (0% vs. 5%, p = 1.000), need for drain (6% vs. 5%, p = 1.000), or surgery (33% vs. 14%, p = 0.246).

Conclusions

In the first‐line, large PSP were treated significantly less conservatively and more drained. Radiographic size of the pneumothorax does not seem to have an impact on first‐line treatment failure and follow‐up outcomes.
Eminence‐Based Versus Evidence‐Based Imaging of Lung Infection (Pneumonia) in Children – Diagnostic Accuracy of Lung Ultrasound
Authors: Venkatakrishna Shyam Sunder B. , Sultan Laith R. , McShea Kristina , Lege‐Matsuura Jennifer , Zouvani Antrea , Ramirez Suarez Karen I. , Onyango Levy C. , Goussard Pierre , Otero Hansel J. , Andronikou Savvas
Published: November 2024

Purpose

Lung ultrasound (LUS) has been widely used for detecting pneumonia in children. Although LUS offers multiple advantages, its diagnostic accuracy compared to an imaging gold standard, e.g., computed tomography (CT) is in question. We evaluated the existing literature comparing the use of LUS for diagnosing pneumonia in children to CT.

Methods

PubMed, EMBASE and Scopus databases were searched for relevant studies published from inception to June 13, 2024, using controlled vocabulary (MESH, EMTREE) with keywords.

Results

The initial search identified 1065 articles. After the removal of duplicates (n = 350), the abstracts and titles of 715 studies were screened. 34 relevant studies were reviewed in detail for eligibility and shortlisted to 19 studies. Only 5 usable studies were identified. Of the five studies, three were published in journals that are not indexed in MEDLINE. The study with largest sample size (949 children) reported a sensitivity of LUS of 0.906 with 0.661 accuracy in comparison to chest CT.

Conclusion

There was very limited and relatively low‐quality current evidence regarding the accuracy of LUS in comparison to CT for diagnosing pneumonia in children.
Consequences of Indoor Pollution in Children in Latin America
Authors: Loría‐Chavarría Gloriana , Soto‐Martínez Manuel Enrique
Published: November 2024

Introduction

Indoor air pollution represents a major health problem in developing countries. Common sources of contaminants include biomass fuels, dust mites, mold, and insecticides, which are frequently found in Latin American households due to cultural, geographical, and socioeconomic conditions. Additionally, tobacco consumption and e‐cigarette use are both frequent in the region and represent another source of air pollution. Furthermore, agriculture plays an important role in Latin American and Caribbean economies, leading to hazardous environmental exposures for people living in rural areas. Children are more vulnerable than adults to the effects of environmental exposures because of various physiological and behavioral factors. The timing of exposure is also relevant, as the developing lungs are more susceptible during certain periods of growth, and early insults may impact future development. Exposure to indoor pollution, both prenatal and after birth, has been associated with an increased risk of health issues in children, such as growth impairment, respiratory infections, asthma, reduced lung function, and development of adult lung diseases (e.g., cancer and COPD).

Aim

To understand how childhood environmental exposures affect lung development, with potential long‐term consequences and increased risk of diseases later in life, is essential for developing effective prevention strategies.
Unraveling the venom constituents of the endoparasitoid Aphidius gifuensis with an emphasis on the discovery of a novel insecticidal peptide
Authors: Wang Kui , Wu Guocui , Ma Qian , Yang Lin , Wu Chaoyan , Zhu Jiaying
Published: November 2024

BACKGROUND

Venom serves as a pivotal parasitic factor employed by parasitoid wasps to manipulate their hosts, creating a favorable environment for the successful growth of their progeny, and ultimately kill the host. The bioactive molecules within parasitoid venoms exhibit insecticidal activities with promising prospects for agricultural applications. However, knowledge regarding the venom components of parasitoids and the discovery of functional biomolecules from them remains limited.

RESULTS

In this study, 30 venom proteins were identified from the endoparasitoid Aphidius gifuensis through the application of a transcriptomic approach. These proteins were categorized into five groups: hydrolase, molecular chaperone, transferase, other functional protein, and hypothetical protein with unknown function. Particularly noteworthy is the abundant expression of the peptide Vn1 in the venom apparatus of A. gifuensis, indicating its pivotal role in venom activity. Consequently, Vn1 was chosen for further functional analysis, exhibiting insecticidal activity against Tenebrio molitor pupae. Further assessment for revealing its mode of action disclosed that Vn1 impacts genes related to immune response, environmental information processing, metabolism, and response to external stimuli in T. molitor, suggesting its involvement in the intricate parasitoid wasp–host interaction.

CONCLUSION

The findings of this study significantly contribute to our knowledge of the composition and functionality of A. gifuensis venom, establishing a foundation for further investigation into the biological roles of the identified venom constituents. The insecticidal Vn1 isolated from the venom of this parasitoid represents a valuable resource for the development of innovative biocontrol agents with potential applications in agriculture. © 2024 Society of Chemical Industry.
MDMA pharmacokinetics: A population and physiologically based pharmacokinetics model‐informed analysis
Authors: Huestis Marilyn A. , Smith William B. , Leonowens Cathrine , Blanchard Rebecca , Viaccoz Aurélien , Spargo Erin , Miner Nicholas B. , Yazar‐Klosinski Berra
Published: November 2024

Midomafetamine (3,4‐methylenedioxymethamphetamine [MDMA]) is under the U.S. Food and Drug Administration review for treatment of post‐traumatic stress disorder in adults. MDMA is metabolized by CYP2D6 and is a strong inhibitor of CYP2D6, as well as a weak inhibitor of renal transporters MATE1, OCT1, and OCT2. A pharmacokinetic phase I study was conducted to evaluate the effects of food on MDMA pharmacokinetics. The results of this study, previously published pharmacokinetic data, and in vitro data were combined to develop and verify MDMA population pharmacokinetic and physiologically based pharmacokinetic models. The food effect study demonstrated that a high‐fat/high‐calorie meal did not alter MDMA plasma concentrations, but delayed Tmax. The population pharmacokinetic model did not identify any clinically meaningful covariates, including age, weight, sex, race, and fed status. The physiologically based pharmacokinetic model simulated pharmacokinetics for the proposed 120 and 180 mg MDMA HCl clinical doses under single‐ and split‐dose (2 h apart) conditions, indicating minor differences in overall exposure, but lower AUC within the first 4 h and delayed Tmax when administered as a split dose compared to a single dose. The physiologically based pharmacokinetic model also investigated the drug–drug interaction magnitude by varying the fraction metabolized by a representative CYP2D6 substrate (atomoxetine) and evaluated inhibition of renal transporters. The simulations confirm MDMA is a potent CYP2D6 inhibitor, but likely has no meaningful impact on the pharmacokinetics of drugs sensitive to renal transport. This model‐informed drug development approach was employed to inform drug–drug interaction potential and predict pharmacokinetics of clinically relevant dosing regimens of MDMA.
Malnutrition Risk Among Hospitalized Patients With Type 2 Diabetes Mellitus and Its Association With Hospital Length
Authors: Kwizera Philemon , Niyomwungeri Reverien , Gatera Omar , Adu‐Amoah Harriet Gyamfuah , Ahishakiye Jeannine
Published: November 2024

Background

Estimating malnutrition risk among hospitalized patients is challenging, yet critical due to its association with adverse outcomes such as prolonged hospital stays, increased mortality, impaired wound healing, depression, and increased hospital costs. This research study aims to evaluate the risk of malnutrition among Type 2 diabetic hospitalized patients and its impact on the patient's length of stay in two tertiary hospitals based in Kigali.

Method

In this retrospective cross‐sectional study, 300 adult hospitalized Type 2 diabetic patients from Kigali's tertiary hospitals were enrolled between January 2021 and October 2022. Data collected include demographics, anthropometrics, serum albumin, and length of hospital stay. The nutrition risk index was used to determine malnutrition risk.

Results

Overall, 55.3% of hospitalized Type 2 diabetes patients was found to be at risk of malnutrition on the basis of the nutrition risk index. Gender distribution showed no significant difference (p = 0.724), with 56.6% females and 54.5% males at risk. Significant associations were found with age (r = 0.018, p = 0.017), hypertension as comorbidity (r = ‐0.169, p = 0.004), hospital stay duration (r = 0.139, p = 0.002), and blood glucose levels (r = −0.087, p = 0.001).

Conclusion

A study finds high malnutrition risk in hospitalized Type 2 diabetes patients, linked to longer stays and poor outcomes. Early malnutrition screening, proper nutrition support, and a multidisciplinary care team are crucial for improved clinical care and cost‐effectiveness.
Moist convective scaling: Insights from an idealised model
Authors: Agasthya Lokahith , Muller Caroline , Cheve Mathis
Published: November 2024

The response of clouds and moist‐convective processes to heat loss to space by long‐wave radiative cooling is an important feedback in the Earth's atmosphere. It is known that moist convection increases roughly in equilibrium with radiative cooling, an assumption often made in simplified models of the tropical atmosphere. In this study, we use an idealised two‐dimensional model of the atmosphere introduced by Vallis et. al. and incorporate a bulk‐cooling term, which is an idealisation of radiative cooling in the atmosphere. We comment briefly on the static stability of the system to dry and moist convection and characteris its moist convective response to changes in the bulk cooling. We find that, while the clear‐sky regions of the model respond directly to the change in the cooling term, the regions dominated by moist convective plumes are insensitive to changes in cooling. Similar to previous findings from cloud‐resolving models, we too find in our idealised setting that the majority of the increase in convection occurs via an increase in the areal coverage of convection, rather than its intensity. We argue that these small‐scale convective processes are an upper bound on how quickly convective intensity can change to stay in equilibrium with radiative cooling.
Summertime secondary convection and interaction with sea‐breeze circulations
Authors: Fonseca Ricardo , Francis Diana , Nelli Narendra , Yarragunta Yesobu , Paparella Francesco , Pauluis Olivier M.
Published: November 2024

Summertime convection in the arid United Arab Emirates (UAE) is mostly confined to the eastern and northeastern sides of the country, known as primary convection. Convection can also occur in the drier central and western parts of the country; this is called secondary convection. However, the mechanisms behind the latter are still not fully understood, even though it represents a crucial water source in the hotter months. To this end, a series of real‐case and semi‐idealized numerical simulations are performed to explore the role of sea breezes emanating from the nearby water bodies in triggering convection. We found the primary convection is mostly driven by convergence of the sea breezes from the Sea of Oman and Arabian Gulf with the topography‐driven circulations at the Al Hajar mountains. When the Arabian Gulf sea breeze is removed, which is achieved by replacing the water body with flat desert land, the convection is weaker. Secondary convection is triggered by the convergence of the sea breeze from the Arabian Gulf with the circulation associated with the Arabian heat low (AHL). In the absence of the Arabian Gulf sea breeze, it develops in response to low‐level convergence within the southerly monsoon flow reinforced by the AHL's circulation. It is fed by moisture from the Arabian Sea advected by the southerly flow into the UAE enhanced by surface evaporation. The sea breeze from the Sea of Oman plays a minor role in the secondary convection. Sensitivity experiments confirmed these findings. The results presented here stress that any variation in the characteristics of the sea breezes, such as through changes in surface properties (e.g., land‐use land cover), will impact the nature and intensity of the primary and secondary convection in the UAE. However, summertime convection will continue to occur, owing to favourable dynamic and thermodynamic conditions at regional scale.
Sensing Applications of PT‐Symmetry in Non‐Hermitian Photonic Systems
Authors: Wang Zuoxian , Liang Zihua , Hu Jinsheng , Zhou Peng , Liu Lu , Hu Gen , Wang Weiyi , Ye Mao
Published: November 2024

In recent years, rapid advances in non‐Hermitian physics and PT‐symmetry have brought new opportunities for ultra‐sensitive sensing. Especially the presence of controllable non‐conservative processes in optical and photonic systems has triggered the development of singularity‐based sensing. By flexibly tuning gain, loss, and coupling strength, a series of high‐resolution sensing approaches can be realized, with the potential of on‐chip integration. Another important non‐Hermitian singularity is the coherent perfect absorption‐lasing (CPAL) point in the PT‐broken phase, which manifests the coexistence of lasing and CPA, exhibiting intriguing properties with considerable sensing potential. As a crucial method for quantum sensing and metrology, the interaction between light and alkali‐metal atomic ensembles promises unprecedented sensitivity in the measurement of ultra‐weak magnetic field, inertia, and time. Therefore, extending the study of PT‐symmetry and singularity‐based sensing from conventional solid‐state wave systems to diffusive systems such as atomic ensembles is attracting wide attention. In this review, the development of singularity‐based sensing in PT/anti‐PT symmetric non‐Hermitian systems is summarized, with a special focus on photonic platforms including integration with waveguides, microcavities, metasurface, etc. In addition, sensing applications with discussion further extended to atomic ensembles, projecting future research trends in the field.
Same, but different: Variations in fragment ions among stereoisomers of a 17α‐methyl steroid in gas chromatography/electron ionization mass spectrometry
Authors: Steff Jakob , Parr Maria K.
Published: November 2024

Rationale

Gas chromatography/electron ionization mass spectrometry (GC/EI‐MS) is a well‐established tool for the identification of unknown compounds such as new metabolites of xenobiotics. But it reaches the limits of confident structural assignment if it comes to stereoisomers. This work helps to overcome this difficulty by getting a deeper comprehension of composition of so far unspecific and also characteristic fragment ions in general and comparison among stereoisomers.

Methods

Unit mass resolution mass spectra of various isotopologues of four 17α‐methyl steroid diastereomers obtained by selectively introducing [2H9]‐trimethylsilyl (TMS) groups or chemical syntheses were systematically compared. The impact of stereochemistry on variations of relative abundances has been assessed by statistical comparison from repeated measurements. Additionally, characterization of m/z 318 with high‐resolution MS using gas chromatography/quadrupole time‐of‐flight MS (GC/QTOF‐MS) was performed.

Results

The formation of fragment ions from TMS‐derivatives after cleavage of methyl or TMS groups ([M‐CH3]+, [M‐TMSOH]•+, [M‐CH3‐TMSOH]+, [M‐2x90]•+, [M‐2x90‐CH3]+) rarely arises from only one position in the molecule and composition of fragment ion signals is highly influenced by the stereochemistry of the A‐ring at C3 and C5 of the steroid. Similarly, the formation of the characteristic fragment ion m/z 143 most likely consists of two different ways of formation. A possible structure for fragment ion m/z 318 was postulated.

Conclusions

Stereoisomers showed differing fragmentation behaviors based on their configuration. These observations further illustrate that variations among stereoisomers in EI‐MS fragmentation is no random underlying process but instead a pattern which needs to be understood in its complexity. This easily accessible technical approach can be applied on different molecule structures to further investigate the field of isomeric assignment in GC/EI‐MS.
Anionic Reactions Degrading SF6 Using Metals: Insights From the Gas Phase
Authors: Joshi Shiven , Barden Sharon , Mayer Paul M.
Published: November 2024

Alkali metals have been used to degrade SF6 in liquid ammonia. The products include metal fluorides. In this study, we reacted K− and Ag− with SF6 in a triple quadrupole mass spectrometer. The atomic metal anions were formed by in‐source collision‐induced dissociation (CID) of their respective oxalate salts as previously described by our group. The only two reaction products observed were SF6− and SF5−. At low collision energy, the latter was deduced to be formed via an abstraction by the metal of F from SF6− formed by electron transfer in the encounter complex between the metal anion and neutral SF6. As the collision energy was increased, there was evidence of a CID contribution to SF5− directly from SF6−.
Tandem Mass Spectrometry of Perfluorocarboxylate Anions: Fragmentation Induced by Reactive Species Formed From Microwave Excited Hydrogen and Water Plasmas
Authors: Li Jack G. , Bowen Chris J. , Chan Bun , Takahashi Hidenori , O'Hair Richard A. J.
Published: November 2024

Rationale

Polyfluoroalkyl substances (PFAS) like perfluorooctanoic acid have persistent environmental and physiological effects. This study investigates the degradation of CnF2n+1CO2− (n = 1–7) with neutral radical fragmentation under oxygen attachment dissociation (OAD). Unique fragments absent from collision‐induced dissociation (CID) are observed. Further, potential mechanisms are uncovered by density functional theory (DFT) calculations.

Methods

From a standard mixture of PFAS, straight‐chain perfluorinated carboxylic acids with carbon chain lengths of one to eight were separated via liquid chromatography and transferred to the gas phase via negative‐mode electrospray ionisation. Each CnF2n+1CO2− of interest was mass selected and fragmented via both CID and OAD in a quadrupole time‐of‐flight mass spectrometer. DFT optimisations of structures were performed at M06/6‐31+g(d), and single point energy calculations were performed at M06‐2X/aug‐cc‐pVTZ for C3F7CO2−.

Results

Decarboxylation was observed from both CID and OAD, but fluorine abstraction and hydroxyl addition only occurred with OAD. The DFT calculations suggest that C3F6–• (m/z 150) is most likely formed from by H• attack onto a β‐ C‐F bond, then loss of HF, finally decarboxylation. Further, C3F5O− (m/z 147) likely arises from C3F6–• recombining with OH• to produce energised C3F6OH− ions, followed by α‐ or β‐ elimination of HF to give enolate and/or epoxide‐type products.

Conclusions

OAD of C3F7CO2− yields unique product ions C3F6–• (m/z 150) and C3F5O− (m/z 147) absent from collision‐induced dissociation. DFT calculations suggest an intricate pathway of H• attack onto a β C‐F bond, then loss of HF, decarboxylation, recombination with OH•, and finally α‐ or β‐ elimination of HF to give the products.
A V‐Shaped In‐Pipe Robot to Travel Through Complex Winding Pathways in Three Dimensions
Authors: Kakogawa Atsushi , Sekiya Kanade , Nakazawa Ryota , Ikuno Yasuyuki
Published: November 2024

This paper presents a V‐shaped gas pipeline inspection robot which achieves high roll rotation performance, out‐of‐plane double elbow travel performance, and inverted siphon adaptability at high speed without requiring complicated manual operation. The principle for traveling through the out‐of‐plane double elbow was theoretically demonstrated and proven experimentally. The pitch angle of the robot's spiral motion, which is derived from the relationship between the roll angle of the spherical wheel and the angle of the V‐shaped joint, was also both theoretically and experimentally verified. Finally, field tests were conducted not only indoors but also outdoors on 8‐in steel pipes, and the robot successfully adapted to the out‐of‐plane double elbows, inverted siphons, and even buried pipes that were more than 20 years old. The robot even traveled up to 40 m without any problems, and returned safely after inspection and exploration.
Quantifying Overdiagnosis for Multicancer Detection Tests: A Novel Method
Authors: Baker Stuart G.
Published: November 2024

Multicancer detection (MCD) tests use blood specimens to detect preclinical cancers. A major concern is overdiagnosis, the detection of preclinical cancer on screening that would not have developed into symptomatic cancer in the absence of screening. Because overdiagnosis can lead to unnecessary and harmful treatments, its quantification is important. A key metric is the screen overdiagnosis fraction (SOF), the probability of overdiagnosis at screen detection. Estimating SOF is notoriously difficult because overdiagnosis is not observed. This estimation is more challenging with MCD tests because short‐term results are needed as the technology is rapidly changing. To estimate average SOF for a program of yearly MCD tests, I introduce a novel method that requires at least two yearly MCD tests given to persons having a wide range of ages and applies only to cancers for which there is no conventional screening. The method assumes an exponential distribution for the sojourn time in an operational screen‐detectable preclinical cancer (OPC) state, defined as once screen‐detectable (positive screen and work‐up), always screen‐detectable. Because this assumption appears in only one term in the SOF formula, the results are robust to violations of the assumption. An SOF plot graphs average SOF versus mean sojourn time. With lung cancer screening data and synthetic data, SOF plots distinguished small from moderate levels of SOF. With its unique set of assumptions, the SOF plot would complement other modeling approaches for estimating SOF once sufficient short‐term observational data on MCD tests become available.
Palladium‐Catalyzed 2‐Aminoacetophenone Oxime Directed β‐sp2 and γ‐sp3 C─H Bond Functionalization of Aryl Carboxamides
Authors: Sankar Rathinam , Gnanasambandam Vasuki
Published: November 2024

Pd(II)‐catalyzed 2‐aminoacetophenone oxime‐assisted sp2 and sp3 C─H arylation of aryl carboxamides is disclosed. The 2‐aminoacetophenone oxime is an N,N‐bidentate auxiliary that proceeds C─H activation through a six‐membered palladacycle intermediate, and the activation/functionalization on C(sp3)─H bond by the six‐membered ligand palladacycle is novel and achieved. This auxiliary facilitates the subsequent sp3 and sp2 C─H bond activation/functionalization in one step. The optimized protocol enables access to various aryl groups at the β‐sp2‐ and γ‐sp3‐centers of aryl carboxamides. The bidentate auxiliary is easy to synthesize on a gram scale, and we also described deoximination procedure after C─H functionalization.
Green Corrosion Inhibition of Mild Steel in 1.0 M HCl Using Myrtus Communis Essential Oil: Experimental and Theoretical Investigations
Authors: Chaouche Rajae , Tiskar Malika , Amri Abdeslam El , Ihamdane Rachid , Dagdag Omar , Kim Hansang , Salghi Rachid , Berdimurodov Elyor , Berisha Avni , Chaouch Abdelaziz , Habsaoui Amar
Published: November 2024

This study investigates the green corrosion inhibition of mild steel in 1.0 M HCl using Myrtus communis essential oil (EOMC). Experimental and computational methods were combined to evaluate the corrosion inhibition effectiveness of EOMC. Weight loss measurements and electrochemical techniques, demonstrated that EOMC achieves a maximum corrosion inhibition efficiency of 94.81% at a concentration of 400 ppm of MCEO extract. The icorr significantly decreased from 983 µA/cm2 in the 1.0 M HCl solution to 51 µA/cm2 at 10−3 M, demonstrating the inhibitor's effectiveness. Polarization studies suggested mixed‐type inhibition, affecting both anodic and cathodic reactions, supported by changes in Tafel slopes. The Rct reached 462 Ω cm2 at 400 ppm of EOMC, enhancing the steel's protective capability. Higher temperatures increased the corrosion rate, with icorr values rising from 51 µA/cm2 at 298 K to 501 µA/cm2. Surface analysis using scanning electron microscopy coupled with energy‐dispersive X‐ray spectroscopy (SEM‐EDX) confirmed the formation of a protective layer on the steel surface in the presence of EOMC. Additionally, density functional theory (DFT) calculations and molecular dynamics (MD) simulations provided further insights into the adsorption behavior of the EOMC molecules on the MS surface, revealing that the inhibition process involves both physisorption and chemisorption mechanisms.
Simulating High‐Efficiency, Lead‐Free Inorganic‐Organic Perovskite Tandem Solar Cells with over 46% Efficiency
Authors: Sultana Basra , Islam A. T. M. Saiful , Mamoon Iqra , Haque Md. Dulal , Badi Nacer , Irfan Ahmad , Rahman Md. Ferdous
Published: November 2024

Perovskite‐based tandem solar cells (SCs) show significant potential for improving efficiency. In this study, three configurations were designed and optimized: a top cell (ITO/ZnSe/CH3NH3GeI3/CuSCN/Ni), a bottom cell (ITO/ZnSe/CH3NH3SnI3/CuI/Ni), and a tandem cell combining both. Using SCAPS‐1D, the study evaluated how the absorber layer thickness, doping concentration, and defect density affected photovoltaic (PV) performance. It also explored the influence of doping in the back surface field (BSF), interface defect densities, temperature, and back contact work function. The top cell achieved a power conversion efficiency (PCE) of 28.47%, with an open‐circuit voltage (VOC) of 1.21 V, a short‐circuit current density (JSC) of 27.17 mA/cm2, and a fill factor (FF) of 86.24%. The bottom cell reached a PCE of 18.46%, with a VOC of 0.83 V, a JSC of 27.17 mA/cm2, and an FF of 81.839%. The optimized tandem structure demonstrated a notably higher efficiency of 46.89%, with a JSC of 27.17 mA/cm2, a VOC of 2.04 V, and an FF of 84.31%. These results suggest the proposed CH3NH3GeI3/CH3NH3SnI3 tandem design could pave the way for efficient, eco‐friendly, and cost‐effective PV cells in a near future.
Efficient Synthesis of Dihydropyrimidine Hybrids via Guanidine‐Based Biginelli Reaction
Authors: Ramasamy Duraisamy , I Asharani , Dhakshanamurthy Thirumalai
Published: November 2024

A versatile method has been developed for the synthesis of morpholine‐dihydropyrimidine hybrids, 3‐benzyl‐6‐methyl‐5‐(morpholine‐4‐carbonyl)‐4‐phenyl‐3,4‐dihydropyrimidin‐2(1H)‐one, through the construction of dihydropyrimidine (DHPM) via the guanidine‐based Biginelli reaction followed by sodium tertiary butoxide mediated substitution of the benzyl group at the 3rd position of DHPM ring. This substitution approach represents a novel method for obtaining N‐substituted Biginelli products in good yields (72%–84%). Further, the ester group was subjected to intergroup conversion by morpholine using in situ generated diisobutyl(morpholino)aluminum. Notably, this reaction exhibited tolerance to various functional groups, resulting in the corresponding derivatives of dihydropyrimidine–morpholine hybrids in excellent yield (62%–82%).