bluuebunny/crossref_metadata_2025 huggingface dataset:
Racial and ethnic differences in the use of lumbar imaging, opioid analgesics and spinal surgery for low back pain: A systematic review and meta‐analysis
Authors: Chen Qiuzhe , Vella Simon P. , Maher Chris G. , Ferreira Giovanni E. , Machado Gustavo C.
Published: December 2022

Background and Objective

There is a substantial gap between evidence and clinical care for low back pain (LBP) worldwide despite recommendations of best practice specified in clinical practice guidelines. The aim of this systematic review was to identify disparities associated with race or ethnicity in the use of lumbar imaging, opioid analgesics, and spinal surgery in people with LBP.

Databases and Data Treatment

We included observational studies which compared the use of lumbar imaging, opioid analgesics, and spinal surgery for the management of non‐serious LBP between people from different racial/ethnic populations. We searched in MEDLINE, EMBASE and CINAHL from January 2000 to June 2021. Risk of bias of included studies was appraised in six domains. For each type of care, we pooled data stratified by race and ethnicity using random effects models.

Results

We identified 13 eligible studies; all conducted in the United States. Hispanic/Latino (OR 0.69, 95%CI 0.49–0.96) and Black/African American (OR 0.59, 95%CI 0.46–0.75) people with LBP were less likely to be prescribed opioid analgesics than White people. Black/African Americans were less likely to undergo or be recommended spinal surgery for LBP (OR 0.47, 95%CI 0.33–0.67) than White people. There was a lack of high certainty evidence on racial/ethnic disparities in the use of lumbar imaging.

Conclusion

This review reveals lower rate of the use of guideline‐discordant care, especially opioid prescription and spinal surgery, in racial/ethnic minority populations with LBP in the United States. Future studies in other countries evaluating care equity for LBP are warranted.

PROSPERO Registration ID: CRD42021260668.

Significance

This systematic review and meta‐analysis revealed that people with low back pain from the minority racial/ethnic backgrounds were less likely to be prescribed opioid analgesics and undergo spinal surgery than the majority counterparts. Strategic interventions to improve the access to, and the value of, clinical care for minority populations with low back pain are warranted.
Enhanced Solar‐Photo(Electro)catalysis of Microwave‐Hydrothermal Synthesized BiVO4, ms‐BiVO4/Reduced Graphene Oxide/Ag3PO4 Nanohybrid: Crystalline Phase‐Dependent Interfacial Charge Carrier Dynamics
Authors: Dabodiya Tulsi Satyavir , George Twinkle , Vadivel Murugan Arumugam
Published: December 2022

Bismuth vanadate with reduced graphene oxide (BiVO4/RGO) is prepared via ultrafast, energy‐efficient microwave‐assisted hydrothermal technique. Subsequently, Ag3PO4 nanoparticles are decorated on BiVO4/RGO by impregnated solution process. Photoelectrochemical (PEC) performance is carried out using as‐synthesized ternary heterostructure ms‐BiVO4/RGO/Ag3PO4 nanohybrid photoanode film and Pt‐wire as cathode in 0.5 m Na2SO4 electrolyte solution under AM 1.5 G (100 mW cm−2) irradiation. An enhanced photocurrent density of ≈3.6 mA cm−2 at +1.23 VRHE is observed for water oxidation, which is ≈2.3 times higher than pristine ms‐BiVO4 (1.58 mA cm−2). Furthermore, 10.1% of incident light‐to‐photocurrent conversion at λ = 450 nm and improved solar‐to‐hydrogen conversion efficiency of 4.5% with consistent photostability up‐to 24 h is achieved. While Rhodamine‐B dye degradation is investigated using BiVO4/RGO/Ag3PO4 photocatalyst, offers highest visible‐light‐driven photocatalytic (PC) degradation with average rate constant of kavg = 1.70 × 10−1 min−1 in 20 min, ≈4.3 times higher than pristine ms‐BiVO4. Such enhancement in PEC and PC performances is due to improved light absorbance coefficient with extended hole diffusion length (LPEC/PC  = 209/147 nm) that enables efficient interfacial charge separation, transportation, and reduced photoinduced recombination. Herein, a strategy of designing an efficient nanohybrid photo(electro)catalyst to generate H2 fuel from water oxidation process and for environmental remediation is developed.
Chitosan as Enabling Polymeric Binder Material for Silicon‐Graphite‐Based Anodes in Lithium‐Ion Batteries
Authors: Hamzelui Niloofar , Linhorst Max , Martin Nyenhuis Gabriela , Haneke Lukas , Eshetu Gebrekidan Gebresilassie , Placke Tobias , Winter Martin , Moerschbacher Bruno M. , Figgemeier Egbert
Published: December 2022

Massive volume change during (de‐)lithiation and subsequent challenges, such as pulverization of active materials, delamination of electrode from the current collector, and fragile solid electrolyte interphase, are among the main impediments hindering the large‐scale commercialization of silicon‐containing anode materials in lithium‐ion batteries. In this regard, designer polymeric binders with unique chemistries are considered as enabling solutions. Polymeric materials endowed with functional groups such as –OH, –COOH/COO−, and –NH2/NH3+, capable of building strong H bonds, are hailed as effective binders for Si‐containing anode materials. Herein, chitosan biopolymers are investigated as a green and environmentally friendly binder in a silicon/graphite (Si/Gr) anode and compared to lithium poly(acrylic acid)/sodium carboxymethyl cellulose binders. The effect of degree of acetylation (DA) and degree of polymerization of chitosan on the electrochemical performance of Si/Gr anode‐based cells is investigated. Anodes with chitosan binder with DA of 50% show the most promising electrochemical performance in Si/Gr||lithium metal and lithium nickel manganese cobalt oxide (NMC622)||Si/Gr cells. Crosslinking of chitosan binder with citric acid monohydrate in combination with free‐standing electrodes results in improved electrochemical performance in full cells. The surface chemistry of electrochemically cycled Si/Gr anodes with/without chitosan binder is investigated by X‐ray photoelectron spectroscopy.
Investigation of the effect of compression ratio on performance of a beta type Stirling engine with rhombic mechanism byCFDanalysis
Authors: Arslan Turan Alp , Solmaz Hamit , İpci Duygu , Aksoy Fatih
Published: December 2022

Stirling engines take attention due to their high thermal efficiency potential. Many experimental and numerical studies have been performed up to date. Numerical performance analyses of Stirling engines implemented with CFD simulations are classified as 4th order analyses. In the present study, the effect of compression ratio on engine performance of a beta type Stirling engine with rhombic mechanism was investigated by 2D CFD simulation. CFD simulations of the Stirling engine were performed by ANSYS Fluent software. The engine examined by CFD analysis was modeled using the dimensions of an engine manufactured and tested in a previous study, and validation of the CFD simulation was conducted regarding in‐cylinder pressure at 4 bar charge pressure. The crank radius and length of the regenerator zone of the engine were optimized by considering the compression ratio of the engine and engine performance was investigated. Maximum engine performance was obtained at a compression ratio of 2.24 which was ensured by 31.5 mm crank radius and 609.9 mm a length of the regenerator zone. By optimizing the dimensions the engine performance was improved by 99% compared to the base engine configuration. The cyclic work, power, torque, and thermal efficiency were calculated as 62.47 J, 728.93 W, 9.94 Nm, and 37.7% respectively.
Enabling security in MANETs using an efficient cluster based group key management with elliptical curve cryptography in consort with sail fish optimization algorithm
Authors: Shanmuganathan C. , Boopalan K. , Elangovan G. , Sathish Kumar P.J.
Published: December 2022

In MANET, group key management is a vital part of multicast security. But distribution of keys in an authenticated manner is a difficult task in group key management. The existing methods provide low security with high processing time during group key management resulting does not provide sufficient results. Therefore, enabling security in MANETs using an efficient cluster based group key management with elliptical curve cryptography in consort with sail fish optimization algorithm is proposed in this article for two‐level security with reduced computational overhead. At first, all the nodes in the cluster are structured in hierarchy method. The key server creates public key utilizing private key of the group node. Here, elliptical curve cryptography based meta‐heuristic sail fish optimization algorithm is used to select the optimal private key for better secure communication. After selecting this optimum private key, the key server creates the public key, and a common group key is created using this generated public keys. If the nodes joint or exit from the subgroup, the reset process is executed in group key management process. Finally, this process reduces the computational overhead of rekeying method. The proposed method is simulated by Python programming and network simulator‐3. The proposed elliptical curve cryptography based sail fish optimization algorithm attains 10.9%, 22.21%, and 11.43% low computational overhead, 19.34%, 13.45%, and 42.13% low latency, 43.45%, 22.21%, and 12.22% high packet delivery rate, 11.23%, 13.41%, and 21.11% high network life time than the existing methods.
Providing a health‐promotion behaviors model in elderly: Psychological capital, perceived social support, and attitudes toward death with mediating role of cognitive emotion regulation strategies
Authors: Ahmadboukani Soliman , Fathi Davod , Karami Mina , Bashirgonbadi Sepideh , Mahmoudpour Abdolbaset , Molaei Behnam
Published: December 2022

Background and Aims

The aim of this study was to present a health‐promotion behaviors model in the elderly based on psychological capital, social support, and attitudes toward death mediated with mediating role of emotional cognitive regulation strategies in the elderly in Ardabil.

Methods

The research method was correlational which was done by the path analysis method. The statistical population of the study consisted of all elderly people in Ardabil in 2020, from which 250 people were selected by convenient sampling method and were investigated with research tools including Health‐Promotion Lifestyle Profile (1998), attitudes toward death profile (1994), Psychological Capitals (2007), social support (1988) and Cognitive Emotion Regulation (2001). Data were analyzed by Amos‐24 software and using structural equation modeling.

Results

The results showed that psychological capital, social support, and attitude towards death directly affect health‐promotion behaviors and also indirectly improve them through cognitive emotion regulation strategies. These results can have a significant impact on promoting health and improving the quality of life of the elderly population.

Conclusions

Based on the findings of the present study, it can be claimed that the proposed model for the health of the elderly has an acceptable fitness and this model can be used in developing educational programs and intervention techniques to improve the health of this group of people.
Using smartphones to disseminate home learning support to primary caregivers: An exploratory proof‐of‐concept study
Authors: Cohrssen Caroline , Richards Ben , Wang Rhoda
Published: January 2023

During the Covid‐19 pandemic, kindergartens in Hong Kong have sought ways in which to support children's learning at home while schools were closed. We report on a proof‐of‐concept study: short videos intended to support playful learning at home were distributed to parents/caregivers of preschool children via a smartphone app; toys and a storybook were provided to their children. No significant changes were observed in the importance attached to literacy and numeracy by parents/caregivers over time, perhaps because parents/caregivers place high value on children's academic progress in Hong Kong. However, significant increases in mean scores were observed for the intervention group but not the control group with regard to reported frequency of playing counting games and discussing/participating in weighing or measuring activities. Readily accessible opportunities to recognize learning in playful activities may have contributed to changed practices at homes.

Highlights

Reports the extent of the impact of short videos distributed via a smartphone app on parents'/caregivers' HLE practices during Covid‐19 kindergarten closures.

Survey data reveal parent/caregiver practice unchanged by 4x weekly videos. However, practices increased across waves in the intervention group.

Smartphone dissemination of HLE demonstration videos holds promise as a strategy, but threshold conditions require further research.
Financial crises and the national logistics performance: Evidence from emerging and developing countries
Authors: Nguyen Thanh Cong , Le Trung Hieu
Published: December 2022

This study explores the effects of financial crises on the national logistics performance using a panel of more than 100 emerging and developing countries over the period 2007–2017. We focus on different types of financial crises (banking, currency, and debt crises) and find that any type of financial crisis undermines the national logistics performance. By focusing on critical dimensions of the national logistics performance, we find that financial crises have a negative impact on logistics‐supported infrastructure, market size, education and training, technological readiness, and innovation. This impact is more pronounced in low‐income countries and in election years, whilst it weakens in the presence of majority governments and when right‐wing governments stay in office.
Who helped yesterday will help tomorrow: Trait and state components in prosocial goal realisation
Authors: Laguna Mariola , Alessandri Guido
Published: December 2022

The present study aims to disentangle the state and trait components of prosocial goal realisation, defined as a set of personally meaningful prosocial actions undertaken in natural settings. Based on a diary study with seven daily measurements from 180 participants (a total of 1005 data points), we performed temporal variance decomposition using the STARTS model. The observed individual scores are explained by: ST—a common trait factor, capturing variance stable across days; ART—a unique autoregressive trait factor, capturing variance changing from 1 day to the next; and S—state factors, a series of uncorrelated factors reflecting occasion‐specific variance. The results demonstrate the relative stability of prosocial goal realisation, extending the knowledge on the state/trait distinction in actual prosocial behaviour.
Risk factors for loss to follow‐up after the start of direct‐acting antiviral treatment for hepatitis C virus infection
Authors: Kuwano Akifumi , Yada Masayoshi , Kurosaka Kazuki , Tanaka Kosuke , Masumoto Akihide , Motomura Kenta
Published: December 2022

Background and Aim

Direct‐acting antivirals (DAAs) have recently been developed to treat hepatitis C virus (HCV) infection. Additionally, interferon‐free DAA treatment has improved liver function and reduced the risk of hepatocellular carcinoma (HCC) following HCV eradication. Previous studies on HCV have focused mainly on the treatment rate and the risk of developing HCC, and less attention has been given to loss to follow‐up (LTFU) after DAA treatment. Therefore, the present study aimed to identify the definitive risk factors for LTFU after the start of DAA treatment.

Methods

Between September 2017 and March 2022, 296 patients receiving glecaprevir and pibrentasvir for HCV infection were enrolled in this study. The incidence of LTFU following DAA treatment and the risk factors contributing to LTFU were identified using the patients' clinical characteristics.

Results

In the present study, 75 patients (25.3%) interrupted their follow‐up visits. Multivariate logistic analysis revealed a history of injection drug use (hazard ratio [HR], 1.81; P = 0.017), treatment duration (8 weeks) (HR, 3.51; P = 0.0033), and age <70 years (HR, 1.9; P = 0.0422) as independent factors associated with LTFU after the start of DAA treatment.

Conclusion

Young patients and those with injection drug use are likely to discontinue their follow‐up visits after the start of DAA treatment for HCV infection. Therefore, these patients require strict supervision.
How guideline development has informed clinical research for organic acidurias (et vice versa)
Authors: Forny Patrick , Hörster Friederike , Baumgartner Matthias R. , Kölker Stefan , Boy Nikolas
Published: January 2023

Organic acidurias, such as glutaric aciduria type 1 (GA1), methylmalonic (MMA), and propionic aciduria (PA) are a prominent group of inherited metabolic diseases involving accumulation of eponymous metabolites causing endogenous intoxication. For all three conditions, guidelines for diagnosis and management have been developed and revised over the last years, resulting in three revisions for GA1 and one revision for MMA/PA. The process of clinical guideline development in rare metabolic disorders is challenged by the scarcity and limited quality of evidence available. The body of literature is often fragmentary and where information is present, it is usually derived from small sample sizes. Therefore, the development of guidelines for GA1 and MMA/PA was initially confronted with a poor evidence foundation that hindered formulation of concrete recommendations in certain contexts, triggering specific research projects and initiation of longitudinal, prospective observational studies using patient registries. Reversely, these observational studies contributed to evaluate the value of newborn screening, phenotypic diversities, and treatment effects, thus significantly improving the quality of evidence and directly influencing formulation and evidence levels of guideline recommendations. Here, we present insights into interactions between guideline development and (pre)clinical research for GA1 and MMA/PA, and demonstrate how guidelines gradually improved from revision to revision. We describe how clinical studies help to unravel the relative impact of therapeutic interventions on outcome and conclude that despite new and better quality of research data over the last decades, significant shortcomings of evidence regarding prognosis and treatment remain. It appears that development of clinical guidelines can directly help to guide research, and vice versa.
Assessing Tissue Hydration Dynamics Based on Water/Fat Separated MRI
Authors: Karlsson Markus , Indurain Ainhoa , Romu Thobias , Tunon Patrik , Segelmark Mårten , Uhlin Fredrik , Fernström Anders , Leinhard Olof Dahlqvist
Published: January 2023

Background

Optimal fluid status is an important issue in hemodialysis. Clinical evaluation of volume status and different diagnostic tools are used to determine hydration status in these patients. However, there is still no accurate method for this assessment.

Purpose

To propose and evaluate relative lean water signal (LWSrel) as a water–fat MRI‐based tissue hydration measurement.

Study Type

Prospective.

Population

A total of 16 healthy subjects (56 ± 6 years, 0 male) and 11 dialysis patients (60.3 ± 12.3 years, 9 male; dialysis time per week 15 ± 3.5 hours, dialysis duration 31.4 ± 27.9 months).

Field Strength/Sequence

A 3 T; 3D spoiled gradient echo.

Assessment

LWSrel, a measurement of the water concentration of tissue, was estimated from fat‐referenced MR images. Segmentations of total adipose tissue as well as thigh and calf muscles were used to measure LWSrel and tissue volumes. LWSrel was compared between healthy subjects and dialysis patients, the latter before and after dialysis. Bioimpedance‐based body composition monitor over hydration (BCM OH) was also measured.

Statistical Tests

T‐tests were used to compare differences between the healthy subjects and dialysis patients, as well as changes between before and after dialysis. Pearson correlation was calculated between MRI and non‐MRI biomarkers. A P value <0.05 was considered statistically significant.

Results

The LWSrel in adipose tissue was significantly higher in the dialysis cohort compared with the healthy cohort (246.8% ± 60.0% vs. 100.0% ± 10.8%) and decreased significantly after dialysis (246.8 ± 60.0% vs. 233.8 ± 63.4%). Thigh and calf muscle volumes also significantly decreased by 3.78% ± 1.73% and 2.02% ± 2.50% after dialysis. There was a significant correlation between changes in adipose tissue LWSrel and ultrafiltration volume (r = 87), as well as with BCM OH (r = 0.66).

Data Conclusion

MRI‐based LWSrel and tissue volume measurements are sensitive to tissue hydration changes occurring during dialysis.

Evidence Level

2.

Technical Efficacy

Stage 3.
Pseudo‐Lyapunov methods for Grünwald‐Letnikov and initialized fractional systems
Authors: Gallegos Javier A. , Aguila‐Camacho Norelys
Published: December 2022

This paper presents reduced‐order methods to study the stability of initialized or Grünwald‐Letnikov fractional nonlinear systems. It is shown that the initialization procedure must be formalized by introducing a class of systems, and the corresponding stability analysis must be established for each element of that class. The main features obtained using this novel approach are (a) the requirements for stability are imposed directly on the equations of the system and involve only finite‐dimensional variables; (b) the conclusions are asserted on the variables of interest; (c) the method can be extended in several ways, including multi‐order systems. Illustrative examples, including an application in adaptive control, are finally presented to convey the usefulness of our approach.
Existence of solutions for a higher order Riemann–Liouville fractional differential equation by Mawhin's coincidence degree theory
Authors: Domoshnitsky Alexander , Srivastava Satyam Narayan , Padhi Seshadev
Published: January 2023

In this paper, we investigate the existence of at least one solution to the following higher order Riemann–Liouville fractional differential equation with Riemann–Stieltjes integral boundary condition at resonance:

by using Mawhin's coincidence degree theory. Here,
is the standard Riemann–Liouville fractional derivative of order
, and
is the Riemann–Stieltjes integral of
with respect to
. Our choice of
in the boundary condition can be any integer between 0 and
, which supplements many boundary conditions assumed in the literature. Several examples are given to strengthen our result.
Comparison of weight captured via electronic health record and cellular scales to the gold‐standard clinical method
Authors: Gavin Kara L. , Almeida Emily J. , Voils Corrine I. , Crane Melissa M. , Shaw Ryan , Yancy William S. , Pendergast Jane , Olsen Maren K.
Published: January 2023

Introduction

Obtaining body weights remotely could improve feasibility of pragmatic trials. This investigation examined whether weights collected via cellular scale or electronic health record (EHR) correspond to gold standard in‐person study weights.

Methods

The agreement of paired weight measurements from cellular scales were compared to study scales from a weight loss intervention and EHR‐collected weights were compared to study scales from a weight loss maintenance intervention. Differential weight change estimates between intervention and control groups using both pragmatic methods were compared to study collected weight. In the Log2Lose feasibility weight loss trial, in‐person weights were collected bi‐weekly and compared to weights collected via cellular scales throughout the study period. In the MAINTAIN weight loss maintenance trial, in‐person weights were collected at baseline, 14, 26, 42 and 56 weeks. All available weights from the EHR during the study period were obtained.

Results

On average, in Log2Lose cellular scale weights were 0.6 kg (95% CI: −2.9, 2.2) lower than in‐person weights; in MAINTAIN, EHR weights were 2.8 kg (SE: −0.5, 6.0) higher than in‐person weights. Estimated weight change using pragmatic methods and study scales in both studies were in the same direction and of similar magnitude.

Conclusion

Both methods can be used as cost‐effective and real‐world surrogates within a tolerable variability for the gold‐standard.

Trial registration

NCT02691260; NCT01357551.
Modification of gelatin and photocured 3D‐printed resin to prepare biomimetic phantoms for ultrasound‐guided minimally invasive surgeries
Authors: Chen Chien‐Hua , Huang Yi‐Fan , Chen Po‐Hao , Hsu Yu‐Tung , Jaw Fu‐Shan , Ho Ming‐Hua
Published: January 2023

The main challenge of ultrasound‐guided minimally invasive surgeries is to carry out treatments through small boreholes in the patient's body surface with sub‐millimetric accuracy and facility offered by ultrasound instruments. Thus, the phantoms' biomimetic appearances, acoustic characteristics, and mechanical properties are essential for healthcare professionals. In this study, gelatin and 3D‐printed photo‐resin phantoms were developed for hard and soft tissues, respectively. Using glutaraldehyde (GA) and formaldehyde (FA) to crosslink gelatin phantoms, the mechanical strength, ultrasound velocity, acoustic impedance, needle insertion forces, and antiseptic periods were improved, and the addition of silica nanoparticles raised the acoustic impedance. For 3D‐printed phantoms, the acoustic impedance ascended with hydrophilic polyethylene glycol diacrylate (PEGDA) oligomers. The additives applied in this study successfully made the gelatin and photo‐resin phantoms more mimetic to muscle and bone tissues, allowing their application in preoperative preparations.
Dem Kernbrennstoff auf der Spur
Authors: Raiwa Manuel , Kneip Nina , Walther Clemens , Wendt Klaus
Published: January 2023

Durch die Kombination von Resonanzionisation und kommerzieller Sekundärionen‐Massenspektrometrie ist es möglich, die elementare Zusammensetzung und die Isotopenverhältnisse von kleinsten Partikeln zu bestimmen. Dabei erlaubt die Auswahl geeigneter Anregungsleitern die effektive Unterdrückung isobarer Störungen. Das Verfahren kann eingesetzt werden, um den Ursprungsreaktor von kleinsten Kernbrennstofffragmenten in der Umwelt zu identifizieren. Im Zuge der aktuellen Ereignisse in der Ukraine lassen sich auf diese Weise alte Kontaminationen des Reaktors von Tschernobyl von potenziell neuen des Kernkraftwerks Saporischschja unterscheiden.
Kavitation an Flüssig‐Flüssig‐Grenzflächen
Authors: Pfeiffer Patricia , Ohl Claus‐Dieter , Meloni Simone
Published: January 2023

Ähnlich wie ein Stück Papier kann eine Flüssigkeit unter starkem Ziehen aufreißen und dabei Hohlräume oder sogenannte Kavitationsblasen bilden. Interessanterweise ist Wasser in Experimenten weit weniger „reißfest“, als es die Theorie vorhersagt. Mit Experimenten und Simulationen konnten wir zeigen, dass neben den bekannten Störstellen im Wasser auch kleinste flüssige Verunreinigungen die Reißfestigkeit von Wasser verringern können.
Verschränkung wie am Fließband
Authors: Barkhofen Sonja , Brecht Benjamin , Silberhorn Christine
Published: January 2023

Was Albert Einstein einst „spukhafte Fernwirkung“ nannte, war der Royal Swedish Academy of Sciences den Physiknobelpreis 2022 wert. Durch die Kombination von zeitlichem Multiplexing und kontrollierten Feed‐forward‐Signalen in einem photonischen Quantenspeicher gelingt die Verschränkung sogenannter Greenberger‐Horn‐Zeilinger‐Zustände von immer mehr Quantenteilchen nun schneller und effizienter.
Diffuse alveolar hemorrhage in children with interstitial lung disease: Determine etiologies!
Authors: Knoflach Katrin , Rapp Christina Katharina , Schwerk Nicolaus , Carlens Julia , Wetzke Martin , Emiralioğlu Nagehan , Kiper Nural , Ring Astrid Madsen , Buchvald Frederik , Manali Effrosyni , Papiris Spyros , Reu‐Hofer Simone , Kappler Matthias , Schieber Alexandra , Seidl Elias , Gothe Florian , Robinson Peter N. , Griese Matthias ,   The ChILD EU Collaborators
Published: January 2023

Objective

Diffuse alveolar hemorrhage (DAH) in children is a rare condition resulting from different underlying diseases. This study aimed at describing characteristics and diagnostic measures in children with ILD (children's interstitial lung disease, chILD) and DAH to improve the diagnostic approach by increasing clinician's awareness of diagnostic shortcomings.

Patients and Methods

A retrospective data analysis of patients with ILD and DAH treated in our own or collaborating centers between 01/07/1997 and 31/12/2020 was performed. Data on clinical courses and diagnostic measures were systematically retrieved as case‐vignettes and investigated. To assess suitability of diagnostic software‐algorithms, the Human Phenotype Ontology (HPO) was revised and expanded to optimize conditions of its associated tool the “Phenomizer.”

Results

For 97 (74%) of 131 patients, etiology of pulmonary hemorrhage was clarified. For 34 patients (26%), no underlying condition was found (termed as idiopathic pulmonary hemorrhage, IPH). Based on laboratory findings or clinical phenotype/comorbidities, 20 of these patients were assigned to descriptive clusters: IPH associated with autoimmune features (9), eosinophilia (5), renal disease (3) or multiorgan involvement (3). For 14 patients, no further differentiation was possible.

Conclusion

Complete and sometimes repeated diagnostics are essential for establishing the correct diagnosis in children with DAH. We suggest assignment of patients with IPH to descriptive clusters, which may also guide further research. Digital tools such as the Phenomizer/HPO are promising, but need to be extended to increase diagnostic accuracy.
Effect of tenofovir containing ART on renal function in patients with moderate/severe reduced creatinine clearance at baseline: A retrospective study at two referral hospitals in Namibia
Authors: Kalemeera Francis , Godman Brian , Stergachis Andy , Rennie Tim
Published: December 2022

Prescription of tenofovir disoproxil fumarate (TDF) for patients with baseline creatinine clearances (CrCl) <60 mL/min is said to increase risk of further decline in CrCl. Study objectives were to assess incidence of improvement and predictors thereof; to assess incidence of decline and transition to lower stages of CrCl; and comparison of declines between patients with a baseline CrCl < 60mL/min (group‐I) and ≥ 60 mL/min (group‐II). The study was retrospective, included patients 16 yrs or older who received TDF‐containing ART. Improvement and decline were defined as ≥ 25% increase or decrease in CrCl, respectively. Binary logistic regression was performed to identify predictors of improvement. Groups I and II had 2862 and 7526 patients, respectively. In group‐I, improvement in CrCl was observed in 40.1% (n = 1146), and was associated with stage IV of CrCl (adjusted Odds Ratio [aOR]=13.4 [95% CI: 6.7 ‐ 26.9, P < .001]); male gender (aHR = 1.8 [95% CI: 1.5 ‐ 2.2, P < .001]); and a poor HIV‐status (aHR = 1.2 [95% CI: 1.0 ‐ 1.4], P = .033). In group‐I and group‐II, respectively, decline occurred in 2.3% and 13.0%, (P < .001); transition to lower stages occurred in 1.0% and 25.2% (P < .001); and migration to stage IV CrCl occurred in 1.0% and 0.5% (P < .001). Improvement was more likely than decline in group‐I patients. Although, group‐I patients were more likely to experience new onset severe reduced CrCl than group‐II patients, the proportions were extremely low. TDF should not be withheld from HIV‐positive patients with a baseline CrCl < 60 mL/min.
Controllable Preparation of Ge/Cu Composite Porous Microspheres as High‐Performance Anode Materials for Lithium‐Ion Batteries
Authors: Liangdong Xia , Hongrui Zhu , Shuangyu Liu , Zexin Zhang , Yang Yang , Rulong Chen , Honglie Shen , Juan Hong
Published: December 2022

Germanium (Ge) has great advantages as a cathode material for lithium‐ion batteries, but its application in the anode of lithium‐ion batteries is limited by its volume expansion and poor electrical conductivity. Currently, nano‐Ge and composite Ge are the main research directions. Using Ge/copper (Cu) alloy as raw material, herein, pulse discharge and chemical etching method are adopted to prepare a kind of Ge/Cu composite porous microsphere (Ge/Cu@PMS). A 3D conductive network structure is obtained to increase the conductivity of Ge and alleviate the volume expansion of lithium‐ion battery during charge and discharge. As an anode material for Li‐ion batteries, Ge/Cu@PMS has a capacity retention rate reaching 590 mAh g−1 after 200 constant current charge–discharge cycles at a current density of 800 mA g−1, with a capacity retention rate of 79.1%. Therefore, Ge/Cu@PMS has great potential application in lithium energy storage‐related technologies due to its excellent energy‐storage performance and ease of preparation.
Coupled Helmholtz Resonators with Multiple Resonant Modes for Fano‐Like Interferences
Authors: Xu Wei , Qin Ling , Wang Jiyao
Published: December 2022

Herein, the Helmholtz resonance modes design is developed obtaining Fano‐like interferences. The proposed design employs two vertically aligned Helmholtz resonators exciting two different orders of mode, which induce desired constructive or destructive interferences. The critical part of this design is the realization of a mode‐selective feature. The mode‐selective feature is achieved by adjusting the geometrical parameters of the two Helmholtz resonators. Meanwhile, it can be constructed by applying different mediums under the symmetrical geometric topology. From the numerical simulation results, desired modes can be excited at desired resonant frequencies achieving constructive or destructive interferences. These Fano‐like phenomena are also confirmed by experimental results.
Predestined Steady‐State Entanglement under Pure Vacuum Noise
Authors: Zhou Yuebing , Hu Jiawei , Yu Hongwei
Published: December 2022

Ever since the seminal work by Yu and Eberly [Phys. Rev. Lett. 93, 140404 (2004)], it has become widely accepted that nonlocal entanglement is more fragile than local coherence, in the sense that even under the influence of pure vacuum noise, the two‐qubit entanglement may end within a finite time, while the single‐qubit coherence always decays exponentially. By contrast, in this paper, it is shown that, for a pair of rotating qubits under pure vacuum noise with appropriate orbital radius and angular velocity, nonlocal entanglement as compared to local coherence is not only more resilient against vacuum noise to be preserved in the steady‐state for initially entangled states, but more importantly is also predestined to be created and be preserved for initially separable states. The generation of predestined entanglement here is essentially different from the dissipative steady‐state entanglement generation in existing schemes insofar as it is inevitably generated in pure vacuum instead of an elaborately designed environment.
Electrochemical Detection of Chloramphenicol Using Metal Free Ordered Mesoporous Carbon
Authors: Banerjee Rumeli , Ghosh Debojit , Bhaduri Samanka Narayan , Biswas Rima , Biswas Papu
Published: January 2023

Chloramphenicol (CAM), a broad‐spectrum antibiotic, is restricted by the European Union (E. U.) and many other countries from treating food‐producing animals due to its severe side effects. Therefore, the rapid and sensitive detection of CAM in food products is crucial. Herein, a simple metal‐free electrochemical sensor based on mesoporous carbons: mesostructured 3 from Korea (CMK‐3) and carbon nanocage, CKT (carbons from KIT‐5), are fabricated and used to detect and estimate CAM. The catalysts are well characterized by means of XRD, SEM, HRTEM, BET, XPS. The high specific surface area (770.4 m2 g−1), pore volume (0.984 cm3 g−1), and interconnected ion diffusion channels make CMK‐3 more advantageous than CKT, reflected in its rapid current response, higher sensitivity, and selectivity towards CAM. In the electrochemical determination process using cyclic voltammetry (CV), CMK‐3 shows a better response than bare glassy carbon electrodes and CKT. Moreover, at optimum conditions, the synthesized electrochemical sensor CMK‐3 exhibits a lower limit of detection and limit of quantification values of 3.3 μM and 11.1 μM, respectively, with a sensitivity of 6.9 A μM−1 cm−2. Moreover, the proposed sensor is also utilized for CAM detection in real samples like milk and eye drop with appreciable selectivity and satisfactory recovery of 90.5–98.68 % for milk and eye drop samples.
Alkaline Transition Metal‐Free Oxidative Coupling of Benzylic and Quasi Benzylic sp3 Bonds with O2
Authors: Poorjafari Jafroodi Parian , O Mahmoodi Nosrat
Published: January 2023

An in‐situ strategy is reported for the transition‐metal‐free oxidation of a benzylic H‐pair to perform Csp3−Csp3 bond formation. This study used sixteen benzylic and quasi benzylic reactants of primary and secondary alkyl aryl compounds, e. g., toluene, pyridine, and quinoline derivatives, to perform an oxidative coupling reaction via convenient air oxygen (O2) and MeOH‐KOH solution with a yield of 0–98 %. We now report using an in‐situ green transition‐metal‐free oxidative coupling strategy for C−C bond formation. In other attempts, metal‐catalyzed oxidation of the benzylic sp3 C−H bond of the methylquinoline has been done to perform the sp3 functionalization reaction. The reaction of 2‐methylqunioline with phenylacetylene in the presence of CuCl catalyst completed to isoxazole linkage product.
Carbon Paste Modified with Peony‐Like CuO : Tb3+Nanostructures for the Simultaneous Determination of Sumatriptan and Naproxen in Biological and Pharmaceutical Samples
Authors: Taherizadeh Mozhgan , Jahani Shohreh , Moradalizadeh Mehran , Foroughi Mohammad Mehdi
Published: January 2023

This work studied a new carbon paste electrode modified with peony‐like CuO : Tb3+nanostructure (P−L CuO : Tb3+NS/CPE) for electrochemical detection of sumatriptan and naproxen using cyclic voltammetry, chronoamperometry and differential pulse voltammetry. Based on the findings, there was an improvement in the voltammetric behavior of sumatriptan and naproxen on the P−L CuO : Tb3+NS/CPE surface when comparing with the bare CPE. The correlation of oxidation currents with the pH value, concentration and sweep rate of supporting electrolyte were determined for the optimization of conditions to detect the sumatriptan and naproxen. The surfaces of modified and unmodified electrodes were characterized as well. The diffusion‐control processes were confirmed on the basis of anodic peak findings. The results also revealed a two‐electron transfer process. The sumatriptan and naproxen were co‐detected via the modified electrode, with a range of 0.01‐800 μM and 0.01–700 μM respectively, and a detection limit of 3.3 nM and 2.7 nM, sequentially. An accuracy was found by the differential pulse voltammetry for co‐detection of these two drugs in pharmaceutical preparations and pathological specimens. In conclusion, we suggest the proposed approach for electrical determinations in the management of environmental contamination and industrial quality because of its unique properties like facile sample preparation, and appreciable sensitivity, repeatability and reproducibility.
QM/MM Studies on Enzyme Catalysis and Insight into Designing of New Inhibitors by ONIOM Approach: Recent Update
Authors: Sharma Himani , Raju Baddipadige , Narendra Gera , Motiwale Mohit , Sharma Bhavna , Verma Himanshu , Silakari Om
Published: January 2023

Computational enzymology is a rapidly developing area that uniquely provides deep insight into the fundamental processes of biological catalysis at the atomic level. Such in‐depth insight can ultimately be employed in designing potential inhibitors against the targets of interest. Computational enzymology covers a wide range of in‐silico approaches for investigating the enzyme‐catalyzed reaction mechanisms, among which combined quantum mechanics (QM) /molecular mechanics (MM) approaches have gained a lot of attention nowadays. This advanced approach generally involves a QM method (i. e. a method that estimates the electronic structure of the active site) and a simpler MM method (a method that includes the enzyme environment) to understand the enzymatic reactions. The QM/MM method has been widely tested in understanding the molecular mechanisms both at the structural and energetic levels and observed to best correlate with experimental studies of the enzymatic mechanism. It proposes a new mechanism that ultimately opens a new route for designing new potent, efficacious enzyme inhibitors. This review mainly covers wide applications of the ONIOM (Our own N‐layer Integrated molecular Orbital Molecular mechanics) method for decoding the enzymatic catalysis mechanism or designing potential small molecule inhibitors as treatment therapeutics in terms of free energy profiles. Moreover, this article also highlights employing QM/MM method in comprehending the mechanisms for drug metabolism and resistance (owing to mutations). This write‐up may encourage medicinal chemists and molecular biologists to explore this approach to propose more promising therapeutics to improve the quality of treatment.
A Review of Transition Metal Compounds as Functional Separators for Lithium‐Sulfur Batteries
Authors: Zhang Peng , Yue Liangliang , Liang Qiuyang , Gao Heng , Yan Qiong , Wang Li
Published: January 2023

Lithium‐sulfur (Li−S) batteries have great potential for the development of next‐generation high‐energy‐density secondary batteries owing to their high theoretical energy density, active material (sulfur) environmental friendliness, and low cost. However, their application is still impeded by the inherent sluggish kinetics and solubility of intermediate products of the sulfur cathode. Interface design is an important direction to address challenges in the development of Li−S batteries. The modification of the separator has been shown to effectively suppress the shuttling effect of physical hindrance or chemical bonding without affecting the utilization of active materials. This review encompasses the application of nanostructured transition metal oxides (TMOs), transition metal sulfides (TMSs), transition metal nitrides (TMNs), transition metal phosphides (TMPs), such as incorporating functional separators beyond the approach for preparing novel cathodes, and discusses their composites in a new multifunctional barrier layer for Li−S batteries. The objective properties of various metal compounds and the effect of the shuttle effect in particular on the electrochemical performance in Li−S batteries are highlighted, and give an outlook on the promising approaches for the construction of reliable Li−S batteries.
Tandem Denitrogenation Oxidative Coupling Reaction of Phenyl Vinyl Azides and Cyclic Ethers Under Metal‐Free Conditions
Authors: Mou Dan , Li Qian , Du Zhengyin
Published: January 2023

An efficient synthesis of α‐oxoalkyl ketones is described. The current method is the coupling reaction of phenyl vinyl azides and cyclic ethers under metal‐free conditions. The reaction is conducted with KI as the additive and TBHP (70 % solution in water) as the oxidant at 60 °C for 12 h. A wide range of α‐oxyalkylated ketones with broad functionalities has been synthesized in moderate to good yields.
Computational Study of the Interaction of C12P12 and C12N12 Nanocages with Alendronate Drug Molecule
Authors: Hitler Louis , Eze John F. , Nwagu Adanna D. , Edet Henry O. , Unimuke Tomsmith O. , Eno Ededet A. , Osabor Vincent N. , Adeyinka Adedapo S.
Published: January 2023

The utilization of nanomaterials as efficient delivery systems to specific metabolic sites is essential for harnessing the utmost therapeutic potency of drugs leading to a tremendous quest in the design of efficient drug delivery systems. In this present study, appropriate level of quantum chemical calculation by applying DFT/ωB97XD/6‐311G+ (d, p) method was utilized to investigate the effectiveness of C12N12, and C12P12 nanocages as delivery systems for alendronate drug. The properties of an ideal nano‐delivery system with regards to potential constraints during fabrication are being considered. The highest adsorption energy in C12N12 was observed in interaction site CN_CH −7.355 eV while interaction site CP_CH was observed with the highest Eads −3.518 eV for C12P12. These interaction sites in studied nanocages are suitable for the delivery of alendronate to target site. Our results for energy gap show that studied nanocages are good for the delivery of alendronate drug. The natural bond orbital analysis confirms nanocages and various interactions to be stable. Non‐covalent interaction and quantum theory of atoms in molecules were used to probe the effectiveness of the nanomaterials as delivery materials and confirms strong interaction between drug alendronate and nanocages.
Computational Studies Provide a Molecular Basis for the Quorum Sensing Inhibitory Action of Compounds from Dioon spinulosum Dyer Ex Eichler
Authors: Mensah Jehoshaphat Oppong , Boakye Aaron , Manu Prince , Nketia Prisca Baah , Gasu Edward Ntim , Asiamah Isaac , Borquaye Lawrence Sheringham
Published: January 2023

In Pseudomonas aeruginosa, quorum sensing (QS) plays a key role in biofilm formation and the regulation of other virulence factors which make the bacterium resistant to antibacterial action. During QS, LasR is critical for transcriptional activation and virulence gene regulation. In this study, 21 compounds identified in the anti‐quorum sensing and antibiofilm extracts of Dioon spinolosum were screened against LasR using molecular docking and molecular dynamics (MD) simulations. From molecular docking, 8 compounds had docking scores better than the natural autoinducer molecule, and were therefore subjected to molecular dynamics simulations. MD analysis revealed that the compounds bound strongly to LasR while exposing the binding pocket to bulk solvent. This potentially leads to protein aggregation and prevention of LasR dimerization. Hence, this study provides molecular basis for the anti‐quorum sensing and antibiofilm activities of compounds isolated from Dioon spinulosum and thus, can be considered for antibiotics development.
Synthesis and Application of Acylhydrazone Probe with High Selectivity and Rapid Detection of Mercury Ion
Authors: Shi Tianzhu , Xie Zhengfeng , He Jiawei , Wu Fuyong , Li Honghe , Guo Ju , Zhao Jingjing
Published: January 2023

A Schiff base acylhydrazone fluorescent probe (DPTYMH) was designed and synthesized using 3‐bromo‐N,N‐diphenylaniline, 5‐formyl‐2‐thiopheneboronic acid, and 2‐hydroxybenzohydrazide. The structure was then verified by 1H NMR, 13C NMR and HR‐MS. DPTYMH exhibited positive solvent photochromic effect based on the mechanism of intra‐molecular charge transfer (ICT), and demonstrated effectiveness, high selectivity, and specificity to capture mercury ion (Hg2+). The response time and the detection limit of DPTYMH on Hg2+ was under 10 s and as low as 1.01×10−8 M, respectively. Density Functional Theory (DFT) calculation and 1H NMR were used to investigate the potential coordination mechanism. The Hg2+ level of several water samples had been effectively analyzed using DPTYMH. The molecular logic gate was also built using Hg2+ and EDTA as chemical inputs by taking use of DPTYMH′s reversibility in the presence of EDTA. Moreover, the DPTYMH was produced as test strips, which has the enormous potential to detect Hg2+ ions in the environment.