bluuebunny/crossref_metadata_2025 huggingface dataset:
A Schottky/Z‐Scheme Hybrid for Augmented Photocatalytic H2 and H2O2 Production
Authors: Acharya Lopamudra , Biswal Lijarani , Mishra Bhagyashree Priyadarshini , Das Sarmistha , Dash Srabani , Parida Kulamani
Published: June 2024

The prodigious employment of fossil fuels to conquer the global energy demand is becoming a dreadful threat to the human society. This predicament is appealing for a potent photocatalyst that can generate alternate energy sources via solar to chemical energy conversion. With this interest, we have fabricated a ternary heterostructure of Ti3C2 nanosheet modified g‐C3N4/Bi2O3 (MCNRBO) Z‐scheme photocatalyst through self‐assembly process. The morphological analysis clearly evidenced the close interfacial interaction between g‐C3N4 nanorod, Bi2O3 and Ti3C2 nanosheets. The oxygen vacancy created on Bi2O3 surface, as suggested by XPS and EPR analysis, supported the Z‐scheme heterojunction formation between g‐C3N4 nanorod and Bi2O3 nanosheets. The collaborative effect of Z‐scheme and Schottky junction significantly reduced charge transfer resistance promoting separation efficiency of excitons as indicated from PL and EIS analysis. The potential of MCNRBO towards photocatalytic application was investigated by H2O2 and H2 evolution reaction. A superior photocatalytic H2O2 and H2 production rate for MCNRBO is observed, which are respectively around 5 and 18 folds higher as compared to pristine CNR nanorod. The present work encourages for the development of a noble, eco‐benign and immensely efficient dual heterojunction based photocatalyst, which can acts as saviour of human society from energy crisis.
Bridging Dehydrogenation and Hydrogenation in Heterogeneous Catalysis: A Demonstration of a Unified Catalytic Approach
Authors: Jangir Jyothi , Jagirdar Balaji R.
Published: June 2024

In the pursuit of enhancing the applications of hydrogen as an energy carrier, this research delved into the utilization of a singular hybrid catalyst capable of performing both dehydrogenation and hydrogenation processes for Liquid Organic Hydrogen Carriers (LOHCs). This study presents the synthesis and characterization of a hybrid catalyst, combining an organometallic pincer complex with Pd−Ru heterostructures supported on γ‐alumina. Unlike conventional transition and noble metal nanoparticles, the use of a pincer complex offers exceptional thermal stability due to its aryl backbone, which is advantageous for various endothermic dehydrogenation reactions of hydrocarbons in LOHCs. This pioneering hybrid catalyst is a novel approach, demonstrating a proof of concept. In this study, we utilized the hybrid catalyst to investigate the dehydrogenation and hydrogenation of a lower enthalpic system, specifically the cyclooctane−cyclooctene system. The dehydrogenation of cyclooctane was conducted at 443 K using tertiary butyl ethylene as a sacrificial hydrogen acceptor, while the hydrogenation of cyclooctene reaction catalyzed by Pd−Ru nanostructures occurred at 298 K and 1 atm H2. The results showed successful tandem dehydrogenation‐hydrogenation reactions. However, challenges were noted in terms of catalytic activity and recyclability, providing valuable insights for further refinement and optimization.
Diastereoselective Synthesis of Sulfoxide‐Functionalized N‐Heterocyclic Carbene Ruthenium Complexes: An Experimental and Computational Study
Authors: Mechrouk Victoria , Leforestier Baptiste , Chen Weighang , Poblador‐Bahamonde Amalia I. , Maisse‐Francois Aline , Bellemin‐Laponnaz Stéphane , Achard Thierry
Published: June 2024

The synthesis of sulfoxide‐functionalized NHC ligand precursors were carried out by direct and mild oxidation from corresponding thioether precursors with high selectivity. Using these salts, a series of cationic [Ru(II)(η6‐p‐cymene)(NHC‐SO)Cl]+ complexes were obtained in excellent yields by the classical Ag2O transmetallation route. NMR analyses suggested a chelate structure for the metal complexes, and X‐ray diffractometry studies of complexes 4 b, 4 c, 4dBArF and 4 e unambiguously confirmed the preference for the bidentate (κ2‐C,S) coordination mode of the NHC‐SO ligands. Interestingly, only one diastereomer, in the form of an enantiomeric pair, was observed both in 1H NMR and in the solid state for the complexes. DFT calculations showed a possible intrinsic energy difference between the two pairs of diastereomer. The calculated energy barriers suggested that inversion of the sulfoxide is only plausible from the higher energy diastereomer together with bulky substituents. Inverting the configuration at the Ru center instead shows a lower and accessible activation barrier to provide the most stable diastereomer through thermodynamic control, consistent with the observation of a single species by 1H NMR as a pair of enantiomers. All these complexes catalyse the β‐alkylation of secondary alcohols. Complex 4dPF6 bearing an NHC‐functionalised S‐Ad group has been further studied with different primary and secondary alcohols as substrates, showing high reactivity and high to moderate β‐ol‐selectivities.
Identification of a Safe and Tolerable Carbamazepine Dosing Paradigm that Facilitates Effective Evaluation of CYP3A4 Induction
Authors: Datta‐Mannan Amita , Shanks Elaine , Yuen Eunice , Jin Yan , Rehmel Jessica , Hall Stephen David
Published: June 2024

Carbamazepine (CBZ) is the recommended alternative to rifampicin as a CYP3A4 inducer in drug–drug interaction studies. However, the traditional CBZ dosing paradigm can lead to several adverse events (AEs). This study tested a shorter CBZ dosing regimen using the CYP3A4‐sensitive index substrate midazolam (MDZ). This was a fixed‐sequence arm of an open‐label, phase I study (NCT04840888). Healthy participants (n = 15) aged 18–63 years received oral doses of 1.2 mg MDZ alone (Day 1), CBZ b.i.d. alone (100 mg Days 2–4; 200 mg Days 5–7; 300 mg Days 8–10 and 12–13), and 300 mg CBZ b.i.d. plus 1.2 mg MDZ (Days 11 and 14). One participant (6.7%) experienced constipation due to treatment with CBZ plus MDZ on Day 11. One participant (6.7%) experienced urticaria (Days 12–13), and two participants (13.3%) experienced somnolence (Days 8–10) due to treatment with 300 mg CBZ b.i.d. alone. All AEs were mild. For MDZ, the geometric mean (90% CI) ratio (vs. Day 1) of the area under the curve (AUC 0–∞) was 0.28 (0.24–0.31) on Day 11 and 0.26 (0.23–0.29) on Day 14. The AUC (0–12 hours) of CBZ was 114,000 ng∙h/mL on Day 11 and 105,000 ng∙h/mL on Day 14. Steady‐state concentrations of CBZ and induction of CYP3A4 were achieved on Day 11. The data are consistent with predictions of physiologically‐based pharmacokinetic models in Simcyp. The 9‐day dosing regimen for CBZ induction was well‐tolerated by healthy participants, supporting the use of a shorter CBZ regimen for CYP3A4 induction studies.
Attaining Equity of Access to Research: Perspective on Research in Pregnancy and Breastfeeding Following Dolores Shockley Lecture at ASCPT2024
Authors: Waitt Catriona , Asiimwe Simon Peter , Ojara Francis Williams , Nakijoba Ritah , Kawuma Aida N , Castelnuovo Barbara
Published: June 2024

Everybody deserves access to evidence‐based information to make decisions about their health. However, in many situations, clinical trial eligibility criteria mean that specific data do not exist for certain groups of individuals. These include pregnant and breastfeeding women, children, older people, those with hepatic and renal dysfunction, those with acute severe illness, and those with multiple co‐morbidities and interacting medications. Resultantly, there may not be specific drug‐dosing information for many patients who are treated in a clinical setting. The ASCPT2024 Dolores Shockley Lecture focused on the equitable access to research with a specific focus on clinical pharmacology studies in pregnancy and breastfeeding. To ensure the safe, effective use of medication in pregnancy and breastfeeding, women should be included in clinical trials and pharmacokinetic studies when a medication is anticipated to be used in women of childbearing potential. Community groups should be involved at all stages of research to maintain transparency and trust. This ensures that local priorities are investigated, that communities understand the findings and are empowered to make evidence‐based decisions about their own medication use. Principles informing the design of such studies in pregnancy and lactation are in existence. Mathematical techniques such as physiologically‐based pharmacokinetic modeling and stochastic simulation and estimation can enhance study design, and population pharmacokinetic modeling be used to understand variability within and between individuals. Data should be made findable, accessible, interoperable, and reusable (FAIR). Information (and where necessary, training) regarding the use of these approaches should be provided to decision‐making stakeholders such as ethics committees and regulatory bodies.
Catalyst‐Free Visible Light‐Driven Hydrosulfonylation of Alkenes and Alkynes with Sulfonyl Chlorides in Water
Authors: Xia Xi‐Rui , Du Juan , Zhang Yu‐Xing , Jiang Hong , Cheng Wan‐Min
Published: June 2024

A convenient and sustainable method for synthesizing sulfonyl‐containing compounds through a catalyst‐free aqueous‐phase hydrosulfonylation of alkenes and alkynes with sulfonyl chlorides under visible light irradiation is presented. Unactivated alkenes, electron‐deficient alkenes, alkyl and aryl alkynes can be hydrosulfonylated with various sulfonyl chlorides at room temperature with excellent yields and geometric selectivities by using tris(trimethylsilyl)silane as a hydrogen atom donor and silyl radical precursor to activate sulfonyl chlorides. Mechanistic studies revealed that the photolysis of tris(trimethylsilyl)silane in aqueous solution to produce silyl radical is crucial for the success of this reaction.
Natriuretic peptides and C‐reactive protein in in heart failure and malnutrition: a systematic review and meta‐analysis
Authors: Prokopidis Konstantinos , Irlik Krzysztof , Ishiguchi Hironori , Rietsema Willemina , Lip Gregory Y.H. , Sankaranarayanan Rajiv , Isanejad Masoud , Nabrdalik Katarzyna
Published: June 2024

Background

Heart failure (HF) and malnutrition exhibit overlapping risk factors, characterized by increased levels of natriuretic peptides and an inflammatory profile. The aim of this study was to compare the differences in plasma brain natriuretic peptide (BNP), N‐terminal‐pro B‐type natriuretic peptide (NT‐proBNP), and C‐reactive protein (CRP) in patients with HF and malnutrition versus normal nutrition.

Methods

From inception until July 2023, the databases, PubMed, Scopus, Web of Science, and Cochrane Library were searched. To examine the association among malnutrition [controlling nutritional status (CONUT) score ≥2; Geriatric Nutritional Risk Index (GNRI) score <92] with BNP, NT‐proBNP and CRP in patients with HF, a meta‐analysis using a random‐effects model was conducted (CRD42023445076).

Results

A significant association of GNRI with increased levels of BNP were demonstrated [mean difference (MD): 204.99, 95% confidence interval (CI) (101.02, 308.96, I2 = 88%, P < 0.01)], albeit no statistically significant findings were shown using CONUT [MD: 158.51, 95% CI (−1.78 to 318.79, I2 = 92%, P = 0.05)]. GNRI [MD: 1885.14, 95% CI (1428.76–2341.52, I2 = 0%, P < 0.01)] and CONUT [MD: 1160.05, 95% CI (701.04–1619.07, I2 = 0%, P < 0.01)] were associated with significantly higher levels of NT‐proBNP. Patients with normal GNRI scores had significantly lower levels of CRP [MD: 0.50, 95% CI (0.12–0.88, I2 = 87%, P = 0.01)] whereas significantly higher levels of CRP were observed in those with higher CONUT [MD: 0.40, 95% CI (0.08–0.72, I2 = 88%, P = 0.01)]. Employing meta‐regression, age was deemed a potential moderator between CRP and GNRI.

Conclusions

Normal nutrition scores in patients with HF are linked to lower BNP, NT‐proBNP, and CRP levels compared with malnourished counterparts. Despite the significant link between CRP and malnutrition, their relationship may be influenced in older groups considering the sensitivity of GNRI due to ageing factors.
Highly Adaptive Flame‐Retardant Electrolyte Endows Hard‐Carbon Anodes with Stable Interface Structure for High‐Safety Sodium‐Ion Batteries
Authors: Yu Xueqi , Yang Cheng , Liu Chang , Gao Yanfeng , Liu Yu
Published: June 2024

Hard carbon (HC) is the most promising anode material for sodium‐ion batteries (SIBs). The main obstacle to HC's application is its incompatibility with the phosphate flame‐retardant additive, a common SIB additive. This incompatibility arises from the unstable solid electrolyte interphase (SEI) caused by phosphate molecule decomposition. For the first time, in this work, a new type of highly adaptive flame‐retardant electrolyte is proposed. The electrolyte ensures the stability of the electrode/electrolyte interface by the introduction of pioneering long‐chain nitrile as the SEI‐forming additive and solvated structural regulator. Long‐chain nitriles decompose before phosphate and form a stable SEI containing N element, which prevents the phosphate from inserting into the HC's layers and reduces its sodium‐storage capacity. As a proof of concept, the HC anode demonstrates a higher initial Coulombic efficiency of 80.78% in the as‐designed highly adaptive flame‐retardant electrolyte, which is about 1.8 times than that before regulation. It can cycle stably for 1250 cycles at 3 C with a capacity retention of 60%. Moreover, the electrolyte has good flame retardancy and can extinguish naturally within 1 s. In this work, an innovative method is provided for developing high‐safety SIBs based on HC anodes.
Optimal event‐triggered control for wireless power transfer system in electric vehicles
Authors: Abdelrahim Mahmoud , Almakhles Dhafer , Mabrok Mohamed
Published: June 2024

This study focuses on stabilizing a bidirectional inductive wireless power transfer (WPT) system using an event‐triggered approach. It is only assumed the inductor currents on both the primary and pickup sides are measurable, and they are sent synchronously to the controller via a digital channel. To estimate the unmeasured states and maintain plant stability, a full‐order state observer and an observer‐based controller have been developed. The control parameters are optimized through a genetic algorithm to achieve the desired output response. An emulation methodology is then applied to create an output‐based event‐triggering condition. This condition ensures the stability of the closed‐loop system even in the presence of communication constraints. To prevent Zeno sampling, a minimal time interval between two transmissions is enforced using time‐regularization techniques. Furthermore, the performance of the event‐triggered controller is enhanced by solving a linear matrix inequality condition, which further reduces the number of transmission instances. The methodology offers a systematic and optimal design for the bidirectional inductive WPT system. It eliminates the need for manual tuning of control parameters, which is particularly beneficial given the system's complex nature. To address both continuous‐time and discrete‐time dynamics, the entire system is represented as a hybrid dynamical system, making it more intuitive for networked control systems. The efficiency of this approach is assessed through numerical simulations of a WPT system, demonstrating its effectiveness. The results show that the average intertransmission interval has been increased from 0.0799 to 0.1782 s, that is, the proposed event‐triggering strategy reduced the number of transmissions to more than 50% compared with conventional periodic sampling.
Is a glacier gone when it looks gone? Subsurface characteristics of high‐Arctic ice‐cored slopes as evidence of the latest maximum glacier extent
Authors: Bernard Eric , Friedt Jean‐Michel , Prokop Alexander , Tolle Florian , Griselin Madeleine
Published: June 2024

In the context of glacier retreat and increased precipitations, Arctic glacier basin slopes are subject to stress leading to visible transformations. In this work, subsurface features of a small Arctic glacier basin slopes are mapped using ground‐penetrating RADAR. In combination with surface topography data, eight transects were surveyed ranging from the areas furthest from the current glacier extent to the areas still in contact with the glacier. This allowed for a reconstitution of the successive stages ice‐cored slopes go through when glaciers retreat. It appears that slopes evolve from thick debris‐covered ice bodies connected with the glacier, to residual ice and ice/debris mixes covered in debris. At the same time, surface morphology of the slopes shifts from homogeneous ice‐cored slope gradients to more complex talus‐type slopes at the end of the process. The stages of these evolutions are in compliance with former glacier extents. The main driving factors of the slopes successive stages are the constant slope adjustments linked to debris movements, and the melting of ice cores. All these factors are exacerbated by the warmer and wetter conditions they are subject to.
Theranostic aspects of palladium‐based bimetallic nanoparticles in biomedical field: A state‐of‐the‐art
Authors: Nagarajan Shwetha B. , Ramakrishnan Sanjeevi , Jayaraman Anuradha
Published: June 2024

The exploration of newer antibacterial strategies is driven by antibiotic‐resistant microbes that cause serious public health issues. In recent years, nanoscale materials have developed as an alternative method to fight infections. Despite the fact that many nanomaterials have been discovered to be harmful, numerous researchers have shown a keen interest in nanoparticles (NPs) made of noble metals like silver, gold and platinum. To make environmentally safe NPs from plants, green chemistry and nanotechnology have been combined to address the issue of toxicity. The study of bimetallic nanoparticles (BNPs) has increased tremendously in the past 10 years. The production of BNPs mediated by natural extracts is straightforward, low cost and environmentally friendly. Due to their low toxicity, safety and biological stability, noble BNPs with silver, gold, platinum and palladium have the potential to be used in biomedical applications. They have a significant impact on human health and are used in medicine and pharmacy due to their biological characteristics, which include catalytic, antioxidant, antibacterial, antidiabetic, anticancer, hepatoprotective and regenerative activity.
Efficacy of submental island flap closing advanced mandibular MRONJ lesion in malignancy patients
Authors: Huang Hongyuan , Qiao Qiao , Zhao Ning , Zhou Ying , Zou Yiwen , Li Qingxiang , Li Siyuan , Zhou Biao , Zhang Yi , Guo Chuanbin , Guo Yuxing
Published: June 2024

Objective

This study evaluated the effectiveness of a submental island flap in closing advanced mandibular medication‐related osteonecrosis of the jaw (MRONJ) wounds in patients with malignant tumors.

Subjects and methods

A total of 85 patients with stage II and III MRONJ of mandible with malignant tumor as their primary disease were retrospectively analyzed. All patients underwent surgical treatment, and the soft tissue wound closure was performed either with a submental island flap (SIF) or mucoperiosteal flap (MF). Univariate and multifactorial models were applied to analyze the factors influencing patients' prognosis.

Results

Univariate analysis (p = 0.004, OR 0.075–0.575, 95% CI) and binary logistic regression (p = 0.017, OR 0.032–0.713, 95% CI) suggested that the surgical prognosis of SIF wound closure was significantly better than that of MF.

Conclusion

Closure of wound after resection of mandibular MRONJ lesions in patients with malignant tumors using SIF had a better clinical prognosis compared with MF.
Left anterior descending coronary artery‐left circumflex coronary artery bifurcation angle and severity of coronary artery disease; is there any correlation? A cross‐sectional study
Authors: Mansouri Pejman , Nematipour Ebrahim , Rajablou Nadia , Ghorashi Seyyed Mojtaba , Azari Samad , Omidi Negar
Published: June 2024

Background and Aims

The aim of this study is to evaluate the association of coronary computed tomography angiography derived (CCTA) plaque characteristics and the left anterior descending coronary artery (LAD) and left circumflex coronary artery (LCX) bifurcation angle with severity of coronary artery disease (CAD).

Methods

All the stable patients with suspected CAD who underwent CCTA between January to December 2021 were included. Correlation between CCTA‐derived aggregated plaque volume (APV), LAD‐LCX angle, remodeling index (RI), coronary calcium score with Gensini score in conventional angiography were assessed. One hundred and twenty‐two patients who underwent both CCTA and coronary angiography were analyzed.

Results

Our analysis showed that the median (percentile 25% to percentile 75%) of the APV, LAD‐LCx angle, and calcium score were 31% (17%−47%), 58° (39°−89°), and 31 (0−186), respectively. Also, the mean ± SD of the RI was 1.05 ± 0.20. Significant correlation between LAD‐LCx bifurcation angle (0.0001−0.684), APV (0.002−0.281), RI (0.0001−0.438), and calcium score (0.016−0.217) with Gensini score were detected. There was a linear correlation between the mean LAD‐LCx bifurcation angle and the Gensini score. The sensitivity and specificity for the cut‐off value of 47.5° for the LAD‐LCX angle were 86.7% and 82.1%, respectively.

Conclusion

There is a direct correlation between the LAD‐LCx angle and the Gensini score. In addition to plaque characteristics, anatomic‐based CCTA‐derived indices can be used to identify patients at higher risk for CAD.
Lake depth, a key parameter regulating evaporation in semi‐arid regions: A case study from Dali Lake, China
Authors: Zhang Zhidong , Tang Qiuhong , Zhao Gang , Gaffney Paul P. J. , Dubois Nathalie
Published: June 2024

As climate change intensifies, understanding the dynamics of lake evaporation is imperative, especially in semi‐arid regions where water resources are already scarce. This study examines the regulatory role of lake depth on evaporation rates, focusing on a terminal lake in a semi‐arid region: Dali Lake in China. Using the Complementary Relationship Lake Evaporation model, we simulated the heat and temperature lag time of Dali Lake, an 8 m deep lake, due to its heat storage capacity. This approach was validated through moderate‐resolution imaging spectroradiometer (MODIS)‐based surface temperatures of Dali Lake and adjacent Ganggenor Lake. Dali Lake, by storing heat during the warmer months, maintains lower surface temperatures compared with the shallower Ganggenor Lake. Under the same climatic conditions, Dali Lake has an annual evaporation of 980 mm, which is 45 mm less than that of Ganggenor Lake, which has an annual evaporation of 1024 mm. To further study the impact of lake depth, we simulated the heat storage and evaporation of Dali Lake during the Holocene, when the lake reached up to 34 m average depth, representative of the maximum depth reached by Dali Lake. During the Holocene, under constant climate conditions, the annual evaporation would be 44 mm/year less than the average evaporation from 1984 to 2016. Average annual evaporation decreased with increasing depth, showing a significant reduction during warmer months, while the release of heat during the ice‐cover period did not result in additional evaporation. Our results highlight the important relationship between lake depth and evaporation under climate change, emphasizing the necessity for depth‐specific water management strategies in semi‐arid regions.
Optimizing live video streaming: Integrating 5G, IoT, and cloud computing with machine learning
Authors: Srinivasan L. , Nishat Humaira , Shargunam S. , Nayak Deepak Kumar , Janani K.
Published: June 2024

In this research, we optimize live video broadcast performance by incorporating advanced technologies such as 5G, the Internet of Things (IoT), and cloud computing. Our approach utilizes the Random Forest classifier to categorize data, achieving a 99% precision rate. A comparative study demonstrates that our proposed technique outperforms RCNN and Mask‐RCNN methods in optimizing video streaming efficacy. We show that our method efficiently enhances video streaming quality by integrating machine learning technologies. The combination of 5G, IoT, and cloud computing creates a robust environment for delivering optimized Live video streaming to users. This research underscores the importance of leveraging cutting‐edge technology to address optimization challenges in modern video streaming systems, focusing on the real‐time optimization of video streams in contemporary technological environments.
Starting high or low in English auctions? The case of frozen saithe in Norway
Authors: Sogn‐Grundvåg Geir , Zhang Dengjun , Asche Frank
Published: June 2024

This study investigates the role of starting prices in sequentially ascending (English) auctions. Applying binary logit and hedonic price models on a unique data set comprising 8217 auctioned lots of frozen saithe, an important species in Norwegian fisheries, we find support for three hypotheses; that low starting prices will lead to a higher share of successful auctions, a higher number of participating bidders, and higher final prices. These results indicate that starting prices in English auctions are important for both seller revenue and auction efficiency and are important with respect to strategic behavior in auction markets for food commodities.
Photobiomodulation minimizes taste changes during hematopoietic cell transplantation: A randomized clinical trial
Authors: Ferreira Mariana Henriques , Bezinelli Letícia Mello , de Paula Eduardo Fernanda , Pereira Andrea Z. , Hamerschlak Nelson , Corrêa Luciana
Published: June 2024

Prevention and treatment protocols for taste changes observed during hematopoietic cell transplantation (HCT) are not well‐established. The purpose of this study was to assess the efficacy of photobiomodulation (PBM) in relieving taste changes and preventing lingual papillae atrophy. HCT patients received PBM (n = 42) on the tongue dorsum using an InGaAIP laser (660 nm, 100 mW, 1.1 W/cm2, 8.8 J/cm2). During the HCT conditioning (T0), severe neutropenia (T1), and after neutrophil engraftment (T2), taste acuity for sweet, bitter, sour, and salty solutions, and clinical appearance of lingual papillae were compared with those of a placebo group (n = 43). PBM significantly reduced hypogeusia, ageusia, and parageusia at T1 and T2, and also successfully prevented papillae atrophy during all the analyzed HCT periods. In conclusion, PBM enhanced taste acuity during HCT. The decrease in papillae atrophy indicated a potential regenerative effect of this therapy on tongue mucosa.
Computational modeling of revision total hip arthroplasty involving acetabular defects: A systematic review
Authors: Hopkins Daniel , Callary Stuart A. , Solomon L. B. , Woodford Sarah C. , Lee Peter V. S. , Ackland David C.
Published: June 2024

Revision total hip arthroplasty (rTHA) involving acetabular defects is a complex procedure associated with lower rates of success than primary THA. Computational modeling has played a key role in surgical planning and prediction of postoperative outcomes following primary THA, but modeling applications in rTHA for acetabular defects remain poorly understood. This study aimed to systematically review the use of computational modeling in acetabular defect classification, implant selection and placement, implant design, and postoperative joint functional performance evaluation following rTHA involving acetabular defects. The databases of Web of Science, Scopus, Medline, Embase, Global Health and Central were searched. Fifty‐three relevant articles met the inclusion criteria, and their quality were evaluated using a modified Downs and Black evaluation criteria framework. Manual image segmentation from computed tomography scans, which is time consuming, remains the primary method used to generate 3D models of hip bone; however, statistical shape models, once developed, can be used to estimate pre‐defect anatomy rapidly. Finite element modeling, which has been used to estimate bone stresses and strains, and implant micromotion postoperatively, has played a key role in custom and off‐the‐shelf implant design, mitigation of stress shielding, and prediction of bone remodeling and implant stability. However, model validation is challenging and requires rigorous evaluation and comparison with respect to mid‐ to long‐term clinical outcomes. Development of fast, accurate methods to model acetabular defects, including statistical shape models and artificial neural networks, may ultimately improve uptake of and expand applications in modeling and simulation of rTHA for the research setting and clinic.
GLIM criteria validation and reliability in critically ill patients with cancer: A prospective study
Authors: Gersely Gabriela Delvaux , Klein Rafaela Camila Martins , da Rocha Gabriela Del Gallo Vieira , Bruzaca Wannia Ferreira de Sousa , Ribeiro Lia Mara Kauchi , Santos Bárbara Chaves , de Almeida Maria Manuela Ferreira Alves , Junior João Manoel Silva , Correia Maria Isabel Toulson Davisson , Waitzberg Dan Linetzky , Ozorio Gislaine Aparecida
Published: June 2024

Background

The present study aims to assess the interrater reliability of the Global Leadership Initiative on Malnutrition (GLIM) criteria, a framework to provide a consensus diagnosis of malnutrition. We also aimed to investigate its concurrent and predictive validity in the context of patients with cancer admitted to the intensive care unit (ICU).

Methods

Individuals aged ≥19 years with cancer who were admitted to the ICU within 48 h of their initial hospital admission were included. Nutrition status was assessed with the Nutritional Risk Screening 2002, the Subjective Global Assessment (SGA), and the GLIM criteria. Interrater reliability was assessed by the kappa test (>0.80). The SGA served as the established benchmark for assessing concurrent validity. To evaluate predictive validity, the occurrence of mortality within 30 days was the outcome, and Cox regression models were applied.

Results

A total of 212 patients were included: 66.9% were at nutrition risk, and 45.8% were malnourished according to the SGA. According to the GLIM criteria, 68.4% and 66% were identified as malnourished by evaluators 1 and 2, respectively (κ = 0.947; P < 0.001). The GLIM combination incorporating weight loss and the presence of inflammation exhibited sensitivity (82.4%) and specificity (92%). In the multivariate Cox regression models, most GLIM combinations emerged as independent predictors of complications.

Conclusion

The GLIM criteria demonstrated satisfactory interrater reliability, and the combination involving weight loss and the presence of inflammation exhibited noteworthy sensitivity and specificity. Most GLIM combinations emerged as independent predictors of 30‐day mortality.
Structural Characteristics of Fibrillar Crystals in Uniaxially Stretched Isotactic Polypropylene Dominated by Temperature and Strain
Authors: Lin Hao , Guo Jiang , Huang Xiang , Jiang Shengbao , Xu Mengyi
Published: June 2024

The spherulitic morphology of isotactic polypropylene can be transformed into the oriented fibrillar morphology through hot stretching processes with varying temperature (Ts) or altering strain (εt). The effects of Ts and εt on the structural characteristics of fibrillar crystals are comprehensively investigated with respect to crystal orientation, long periodic spacing, lamellar thickness (Lc), crystallinity (Xc), melting point, and chain relaxation behavior. Small‐angle X‐ray scattering patterns illustrate that the fibrillar crystals consist of alternated stacks of crystalline lamellae and amorphous layers. High Ts leads to a low orientation degree of lamellae, whereas large εt facilitates a high orientation level. The Xc and mean Lc are improved continuously with the increasing of Ts or εt, indicating a stretching‐enhanced crystallization behavior driven by the two factors. The endothermic profiles reveal that new chain‐folded lamellae with relatively thinner thickness form during the hot stretching process. The formation of thinner lamellae is dominated by the melting–recrystallization mechanism. This work would provide guidance for optimizing process conditions to manipulate the microstructure of hot‐stretched semicrystalline polymers.
Soft Actuators and Actuation: Design, Synthesis, and Applications
Authors: Kalulu Mulenga , Chilikwazi Bright , Hu Jun , Fu Guodong
Published: June 2024

Soft actuators are one of the most promising technological advancements with potential solutions to diverse fields’ day‐to‐day challenges. Soft actuators derived from hydrogel materials possess unique features such as flexibility, responsiveness to stimuli, and intricate deformations, making them ideal for soft robotics, artificial muscles, and biomedical applications. This review provides an overview of material composition and design techniques for hydrogel actuators, exploring 3D printing, photopolymerization, cross‐linking, and microfabrication methods for improved actuation. It examines applications of hydrogel actuators in biomedical, soft robotics, bioinspired systems, microfluidics, lab‐on‐a‐chip devices, and environmental, and energy systems. Finally, it discusses challenges, opportunities, advancements, and regulatory aspects related to hydrogel actuators.
Enhanced Microstructural Uniformity in Sulfuric‐Acid‐Treated Poly(3,4‐Ethylenedioxythiophene):Poly(Styrene Sulfonate) Films Using Raman Map Analysis
Authors: Kim Hyewon , Park Jiyeong , Jang Jaehee , Sasongko Nurwarrohman Andre , Heo Jaeseong , Lee Songyi , Kwak Kyungwon , Kee Seyoung , Park Myeongkee
Published: June 2024

Poly(3,4‐ethylenedioxythiophene):poly(styrene sulfonate) (PEDOT:PSS) films have emerged as potential alternatives to indium–tin oxide as transparent electrodes in optoelectronic devices because of their superior transparency, flexibility, and chemical doping stability. However, pristine PEDOT:PSS films show low conductivities because the insulating PSS‐rich domains isolate the conductive PEDOT‐rich domains. In this study, the conductivities and corresponding spatially resolved Raman properties of PEDOT:PSS thin films treated with various concentrations of H2SO4 are presented. After the PEDOT:PSS films are treated with the H2SO4 solutions, their electrical conductivities are significantly improved from 0.5 (nontreated) to 4358 S cm−1 (100% v/v). Raman heat maps of the peak shifts and widths of the Cα═Cβ stretching mode are constructed. A blueshift and width decrease of the Cα═Cβ Raman mode in PEDOT are uniformly observed in the entire measurement area (20 × 20 µm2), indicating that microstructural transitions are successfully accomplished across the area from the coiled to linear conformation and high crystallinity upon H2SO4 treatment. Thus, it is proved that comprehensive Raman map analysis can be easily utilized to clarify microstructural properties distributed in large areas induced by various dopants. These results also offer valuable insights for evaluating and optimizing the performance of other conductive thin films.
Oxycodone or Higher Dose of Levodopa for the Treatment of Parkinsonian Central Pain: OXYDOPA Trial
Authors: Brefel‐Courbon Christine , Harroch Estelle , Marques Ana , Devos David , Thalamas Claire , Rousseau Vanessa , Ory‐Magne Fabienne , Fabbri Margherita , Maltête David , Rouaud Tiphaine , Drapier Sophie , Tir Melissa , Thobois Stephane , Salhi Hayet , Corvol Jean Christophe , Castelnovo Giovanni , Lagha‐Boukbiza Ouhaid , Fluchère Fréderique , Frismand Solene , Ansquer Solene , Sommet Agnes , Rascol Olivier
Published: June 2024

Background

Among the different types of pain related to Parkinson's disease (PD), parkinsonian central pain (PCP) is the most disabling.

Objectives

We investigated the analgesic efficacy of two therapeutic strategies (opioid with oxycodone‐ prolonged‐release (PR) and higher dose of levodopa/benserazide) compared with placebo in patients with PCP.

Methods

OXYDOPA was a randomized, double‐blind, double‐dummy, placebo‐controlled, multicenter parallel‐group trial run at 15 centers within the French NS‐Park network. PD patients with PCP (≥30 on the Visual Analogue Scale [VAS]) were randomly assigned to receive oxycodone‐PR (up to 40 mg/day), levodopa/benserazide (up to 200 mg/day) or matching placebo three times a day (tid) for 8 weeks at a stable dose, in add‐on to their current dopaminergic therapy. The primary endpoint was the change in average pain intensity over the previous week rated on VAS from baseline to week‐10 based on modified intention‐to‐treat analyses.

Results

Between May 2016 and August 2020, 66 patients were randomized to oxycodone‐PR (n = 23), levodopa/benserazide (n = 20) or placebo (n = 23). The mean change in pain intensity was −17 ± 18.5 on oxycodone‐PR, −8.3 ± 11.1 on levodopa/benserazide, and −14.3 ± 18.9 in the placebo groups. The absolute difference versus placebo was −1.54 (97.5% confidence interval [CI], −17.0 to 13.90; P = 0.8) on oxycodone‐PR and +7.79 (97.5% CI, −4.99 to 20.58; P = 0.2) on levodopa/benserazide. Similar proportions of patients in each group experienced all‐cause adverse events. Those leading to study discontinuation were most frequently observed with oxycodone‐PR (39%) than levodopa/benserazide (5%) or placebo (15%).

Conclusions

The present trial failed to demonstrate the superiority of oxycodone‐PR or a higher dose of levodopa in patients with PCP, while oxycodone‐PR was poorly tolerated. © 2024 The Author(s). Movement Disorders published by Wiley Periodicals LLC on behalf of International Parkinson and Movement Disorder Society.
FetoML: Interpretable predictions of the fetotoxicity of drugs based on machine learning approaches
Authors: Jeong Myeonghyeon , Yoo Sunyong
Published: June 2024

Pregnant females may use medications to manage health problems that develop during pregnancy or that they had prior to pregnancy. However, using medications during pregnancy has a potential risk to the fetus. Assessing the fetotoxicity of drugs is essential to ensure safe treatments, but the current process is challenged by ethical issues, time, and cost. Therefore, the need forin silicomodels to efficiently assess the fetotoxicity of drugs has recently emerged. Previous studies have proposed successful machine learning models for fetotoxicity prediction and even suggest molecular substructures that are possibly associated with fetotoxicity risks or protective effects. However, the interpretation of the decisions of the models on fetotoxicity prediction for each drug is still insufficient. This study constructed machine learning‐based models that can predict the fetotoxicity of drugs while providing explanations for the decisions. For this, permutation feature importance was used to identify the general features that the model made significant in predicting the fetotoxicity of drugs. In addition, features associated with fetotoxicity for each drug were analyzed using the attention mechanism. The predictive performance of all the constructed models was significantly high (AUROC: 0.854‐0.974, AUPR: 0.890‐0.975). Furthermore, we conducted literature reviews on the predicted important features and found that they were highly associated with fetotoxicity. We expect that our model will benefit fetotoxicity research by providing an evaluation of fetotoxicity risks for drugs or drug candidates, along with an interpretation of that prediction.
Prediction of adverse drug reactions due to genetic predisposition using deep neural networks
Authors: Dafniet Bryan , Taboureau Olivier
Published: June 2024

Drug development is a long and costly process, often limited by the toxicity and adverse drug reactions (ADRs) caused by drug candidates. Even on the market, some drugs can cause strong ADRs that can vary depending on an individual polymorphism. The development of Genome‐wide association studies (GWAS) allowed the discovery of genetic variants of interest that may cause these effects. In this study, the objective was to investigate a deep learning approach to predict genetic variations potentially related to ADRs. We used single nucleotide polymorphisms (SNPs) information from dbSNP to create a network based on ADR‐drug‐target‐mutations and extracted matrixes of interaction to build deep Neural Networks (DNN) models. Considering only information about mutations known to impact drug efficacy and drug safety from PharmGKB and drug adverse reactions based on the MedDRA System Organ Classes (SOCs), these DNN models reached a balanced accuracy of 0.61 in average. Including molecular fingerprints representing structural features of the drugs did not improve the performance of the models. To our knowledge, this is the first model that exploits DNN to predict ADR‐drug‐target‐mutations. Although some improvements are suggested, these models can be of interest to analyze multiple compounds over all of the genes and polymorphisms information accessible and thus pave the way in precision medicine.
Radon measure solutions of spherically symmetric isentropic compressible Euler equations
Authors: Zhao Renxiong
Published: June 2024

We consider the well‐posedness of a class of initial‐boundary value problems of the spherically symmetric isentropic compressible Euler equations for polytropic gas. We find that a singularity always occurs on the sonic circle near the origin, even in the case of steady flow, regardless of whether the speed of the incoming flow at far field is subsonic or supersonic. This inherent difficulty makes it impossible to extend the solution towards the origin pass across the sonic circle in the sense of classical solutions. To address the singularity, our idea is to fix a delta‐wave on the sonic circle in the framework of the Radon measure solution. As a result, we obtain the existence of the Radon measure solution to the initial‐boundary value problem and prove that a concentration will form on the sonic circle. More importantly, we deduce an exact formula for pressure distribution on the sonic circle. In particular, there is a concentration at the origin as the Mach number of incoming flow goes to infinity, which corresponds to the case of pressureless gas. Additionally, we investigate the case of Chaplygin gas.
Nobiletin Protects Against Alcoholic Liver Disease in Mice via the BMAL1‐AKT‐Lipogenesis Pathway
Authors: Li Xudong , Zhuang Runxuan , Zhang Ke , Zhang Yuchun , Lu Zhitian , Wu Fan , Wu Xiaoli , Li Wenxue , Zhang Zheqing , Zhang Huijie , Zhu Wei , Zhang Bo
Published: June 2024

Scope

Alcoholic liver disease (ALD) is a global public health concern. Nobiletin, a polymethoxyflavone abundant in citrus fruits, enhances circadian rhythms and ameliorates diet‐induced hepatic steatosis, but its influences on ALD are unknown. This study investigates the role of brain and muscle Arnt‐like protein‐1 (Bmal1), a key regulator of the circadian clock, in nobiletin‐alleviated ALD.

Methods and results

This study uses chronic ethanol feeding plus an ethanol binge to establish ALD models in Bmal1flox/flox and Bmal1 liver‐specific knockout (Bmal1LKO) mice. Nobiletin mitigates ethanol‐induced liver injury (alanine aminotransferase [ALT]), glucose intolerance, hepatic apoptosis, and lipid deposition (triglyceride [TG], total cholesterol [TC]) in Bmal1flox/flox mice. Nobiletin fails to modulated liver injury (ALT, aspartate aminotransferase [AST]), apoptosis, and TG accumulation in Bmal1LKO mice. The expression of lipogenic genes (acetyl‐CoA carboxylase alpha [Acaca], fatty acid synthase [Fasn]) and fatty acid oxidative genes (carnitine pamitoyltransferase [Cpt1a], cytochrome P450, family 4, subfamily a, polypeptide 10 [Cyp4a10], and cytochrome P450, family4, subfamily a, polypeptide 14 [Cyp4a14]) is inhibited, and the expression of proapoptotic genes (Bcl2 inteacting mediator of cell death [Bim]) is enhanced by ethanol in Bmal1flox/flox mice. Nobiletin antagonizes the expression of these genes in Bmal1flox/flox mice and not in Bmal1LKO mice. Nobiletin activates protein kinase B (PKB, also known as AKT) phosphorylation, increases the levels of the carbohydrate response element binding protein (ChREBP), ACC1, and FASN, and reduces the level of sterol‐regulatory element binding protein 1 (SREBP1) and phosphorylation of ACC1 in a Bmal1‐dependent manner.

Conclusion

Nobiletin alleviates ALD by increasing the expression of genes involved in fatty acid oxidation by increasing AKT phosphorylation and lipogenesis in a Bmal1‐dependent manner.
In situ alkali‐free growth of octahedral Ag2O nanoparticles by bacterial cellulose for efficient antibacterial application
Authors: Zhou Man , Cui Youfeng , Feng Qin , Wu Wangcheng , Zhou Yanli , Xu Song , Ma Hao , Lin Liwei , Li Zhongyu
Published: June 2024

Uniform octahedral Ag2O nanoparticles were in situ synthesized within natural bacterial cellulose (BC) films without any inorganic alkali. The morphological transformation of Ag2O from nanoparticles and small nanoplates to an octahedral structure was well controlled by varying the UV exposure time. To reduce and anchor Ag2O nanoparticles, abundant hydroxyl groups on the surface of natural BC fibers ensured an ideal environment for the mild redox reaction between Ag+ and –OH groups. The structural features and structure–activity relationship of Ag2O/BC films were confirmed through TEM, energy dispersive spectroscopy assisted SEM analysis, Fourier transform IR, X‐ray photoelectron spectroscopy, TGA and XRD. The structure–antibacterial activity relationship of the Ag2O/BC films was proved against both Gram‐positive (Staphylococcus aureus) and Gram‐negative (Escherichia coli) bacteria. They also showed excellent performance in the photocatalytic degradation of organic dyes. Ag2O/BC films have potential bactericidal applications in the field of pharmacy, specifically for wound dressing and flexible wearable materials. © 2024 Society of Chemical Industry.
Rapamycin Liposomes Targeted to Lymph Nodes Inhibit Dendritic Cell Maturation for the Treatment of Transplant Rejection
Authors: Zhou Wuqi , Song Yishu , Yi Luyang , Li Xueke , Ding Mengdan , Zhang Junmin , Wang Yihui , Wang Wenyuan , Wang Lufang , He Mengrong , Jin Qiaofeng , Gao Tang , Xie Mingxing , Zhang Li
Published: June 2024

The activation of naive T cells by mature dendritic cells (DCs) presenting allograft antigens marks a pivotal stage in triggering transplant rejection. A critical intervention in this process involves the administration of rapamycin, which disrupts the mTOR signaling pathway, thereby impeding DC maturation. Nevertheless, systemic administration of rapamycin faces challenges due to its limited bioavailability, non‐specific targeting, and notable side effects. To address these limitations, LNP@rapa (liposome‐encapsulated rapamycin) is developed, administered via subcutaneous injection. This formulation selectively targets lymph nodes, inhibiting DC maturation within these nodes and mitigating transplant rejection. This study validates the in vivo efficacy of LNP@rapa, demonstrating its ability to hinder DC maturation, reduce inflammatory cytokine secretion, and significantly prolong graft survival in two distinct mouse transplantation models. This study introduces an innovative strategy targeting lymph nodes to impede DC maturation, offering a promising approach to address transplant rejection.