bluuebunny/crossref_metadata_2025 huggingface dataset:
Regulating Fe Intermediate Spin States via FeN4‐Cl‐Ti Structure for Enhanced Oxygen Reduction
Authors: Zhang Shuren , Han Yitong , Zhang Rui , Zhang Zhiyuan , Sun Genban
Published: September 2024

Modulating the spin states of FeN4 moieties is critical for enhancing the electrocatalytic oxygen reduction reaction (ORR). In this study, Ti4N3Clx and Ti4N3Ox MXenes are synthesized and functionalized with iron phthalocyanine (FePc) to form model catalysts with well‐defined FeN4‐Cl‐Ti and FeN4‐O‐Ti structures, respectively. The FeN4‐Cl‐Ti structure, formed within the Ti4N3Clx/FePc composite, enables precise modulation of FeN4 spin states from low to intermediate spin, significantly enhancing ORR performance. In contrast, the FeN4‐O‐Ti structure in Ti4N3Ox/FePc shows less effective spin state modulation, leading to comparatively lower ORR activity. Compared to FePc and Ti4N3Ox/FePc, Ti4N3Clx/FePc demonstrates superior electrochemical performance, with an ORR half‐wave potential of +0.91 V versus RHE and doubled power densities in Zn–air batteries (214.5 mW cm−2). Theoretical studies confirm that the intermediate spin states induced by the weak‐field ligand‐modified FeN4‐Cl‐Ti structure in Ti4N3Clx/FePc facilitate electron filling in the antibonding orbital composed of Fe 3dz2 and O2 π* orbitals, greatly enhancing O₂ activation and ORR activity. These findings underscore the superior catalytic properties of FeN4‐Cl‐Ti compared to FeN4‐O‐Ti, advancing the understanding of spin state‐related catalytic mechanisms and guiding the design of high‐performance ORR catalysts.
Analog Sequential Hippocampal Memory Model for Trajectory Learning and Recalling: A Robustness Analysis Overview
Authors: Casanueva‐Morato Daniel , Ayuso‐Martinez Alvaro , Indiveri Giacomo , Dominguez‐Morales Juan P. , Jimenez‐Moreno Gabriel
Published: September 2024

The rapid expansion of information systems in all areas of society demands more powerful, efficient, and low‐energy consumption computing systems. Neuromorphic engineering has emerged as a solution that attempts to mimic the brain to incorporate its capabilities to solve complex problems in a computationally and energy‐efficient way in real time. Within neuromorphic computing, building systems to efficiently store the information is still a challenge. Among all the brain regions, the hippocampus stands out as a short‐term memory capable of learning and recalling large amounts of information quickly and efficiently. Herein, a spike‐based bio‐inspired hippocampus sequential memory model is proposed that makes use of the benefits of analog computing and spiking neural networks (SNNs): noise robustness, improved real‐time operation, and energy efficiency. This model is applied to robotic navigation to learn and recall trajectories that lead to a goal position within a known grid environment. The model is implemented on the special‐purpose SNNs mixed‐signal DYNAP‐SE hardware platform. Through extensive experimentation together with an extensive analysis of the model's behavior in the presence of external noise sources, its correct functioning is demonstrated, proving the robustness and consistency of the proposed neuromorphic sequential memory system.
Regioselektiver, photoredox‐katalysierter Wasserstoffisotopenaustausch an benzylischen Positionen
Authors: Stinglhamer Martin , Kuhlmann Jan Hendrik , Martinelli Elisa , Perulli Stefania , Sandvoss Martin , Mück‐Lichtenfeld Christian , Derdau Volker , García Mancheño Olga
Published: September 2024

Es wird ein hochgradig regioselektiver, von sichtbarem Licht photoredox‐katalysierter Wasserstoff‐isotopenaustausch (WIA) an benzylischen Positionen von einfachen und komplexen Molekülen beschrieben. Der Prozess folgt einem dual katalytischen Ansatz, basierend auf der Kombination eines Acridinium‐Photokatalysators mit einem Thiol basierten Wasserstoffatomtransfer Katalysator (HAT). Die Verwendung von D2O als Isotopenquelle gewährleistet hierbei eine einfache Handhabung und Kosteneffizienz. Es konnte eine hohe Reaktivität für elektronenreiche benzylische Positionen erreicht werden. Die gezielte Bildung von Radikalen ermöglicht einen selektiven WIA an intramolekular konkurrierenden Benzyl‐ und alpha zu Heteroatom‐positionen mit moderatem bis ausgezeichnetem Deuteriumeinbau. Der Nutzen dieser Reaktion wurde durch WIA an verschiedenen Naturstoff‐ und Arzneimittelderivaten demonstriert. Experimentelle Studien und Dichtefunktionaltheorieberechnungen (DFT) legen einen Ein‐Elektronen‐Übertragungsmechanismus (SET) nahe, gefolgt von einer Deprotonierung zur Bildung des benzylischen Radikals. Hierbei konnte die Bedeutung von halogenierten Lösungsmitteln oder Additiven demonstriert werden. Die schwache Interaktion der Halogenspezies mit dem Substrat führt zur Bildung eines Komplexes. Dies resultiert in einer Senkung des Oxidationspotenzials und einer Stabilisierung der Radikal‐Kation‐Spezies durch Spin‐Delokalisierung.
Pyrrolic‐Nitrogen Chemistry in 1‐(2‐hydroxyethyl)imidazole Electrolyte Additives toward a 50,000‐Cycle‐Life Aqueous Zinc‐Iodine Battery
Authors: Chen Jiajun , Ou Genyuan , Liu Peifen , Fan Wenju , Li Bing , Hu Zuyang , Wen Zhipeng , Zhang Yufei , Tang Yongchao , Liu Xiaoqing , Ye Minghui , Li Cheng Chao
Published: September 2024

Rechargeable aqueous zinc iodine (Zn‐I2) batteries offer benefits such as low cost and high safety. Nevertheless, their commercial application is hindered by hydrogen evolution reaction (HER) and polyiodide shuttle, which result in a short lifespan. In this study, 1‐(2‐hydroxyethyl)imidazole (HEI) organic molecules featuring pyrrole‐N groups are introduced as dually‐functional electrolyte additives to simultaneously stabilize Zn anode and confine polyiodide through ion‐dipole interactions. The pyrrole‐N groups in HEI can preserve the interfacial pH equilibrium at Zn anode by reversibly capturing H+ ions and dynamically neutralizing OH− ions, thereby suppressing the HER. Notably, the H2 evolution rate at the Zn anode is reduced to a mere 2.20 μmol h−1 cm−2. Furthermore, the pyrrole‐N moieties in HEI effectively curtail the polyiodide shuttle at I2 cathode, which show adsorption energies of −0.174 eV for I2, −0.521 eV for I3−, and −0.768 eV for I−, as indicated by density functional theory calculations. Electrochemical testing demonstrates that the Zn//Zn symmetric cell maintains stable cycling for up to 4,200 hours at 1 mA cm−2. Most strikingly, at a high I2 mass loading of 9.7 mg cm−2, the Zn‐I2 battery achieves an extraordinary cycle life of 50,000 cycles.
Increasing the Donor Strength of Alkenylphosphines by Twisting the C=C Double Bond
Authors: Yu Cheng‐Han , Hsiao Yu‐Wen , Löffler Julian , Kaiser Nicolas , Huang Bo‐Hong , Lee Chao‐Hsien , Hung Chen‐Hsun , Shen Jiun‐Shian , Yap Glenn P. A. , Gessner Viktoria H. , Ong Tiow‐Gan
Published: September 2024

Electron‐rich phosphines play a crucial role in transition metal‐based homogeneous catalysis. While alkyl groups have traditionally been employed to increase the phosphine donor strength, recent studies have shown that zwitterionic functional groups such as phosphorus ylides can result in a further enhancement. Herein we report the concept of twisting a C=C double bond to introduce a zwitterionic substituent by the synthesis and application of N‐heterocyclic olefin phosphines with a sulfonyl substituent (sNHOP). This sulfonyl group enables the twisting of the olefin moiety due to steric and electronic stabilization of the carbanionic center. The resulting zwitterionic structure leads to a significant increase of the donor strength of the sNHOP ligands compared to conventional NHOP systems with a planar N‐heterocyclic olefin moiety. The potential of this new ligand platform for catalysis is demonstrated by its application in the gold‐catalyzed hydroamination and cyclo‐isomerization of alkynes. Here, the ligands outperform the original NHOP ligands suggesting favorable properties for future catalysis applications.
Synthesis, Structural Determination, DFT Calculation and Biological Evaluation Supported by Molecular Docking Approach of Some New Complexes Incorporating (E)‐N'‐(3,5‐di‐Tert‐Butyl‐2‐Hydroxybenzylidene) Isonicotino Hydrazide Ligand
Authors: Al‐Farraj Eida S. , Qasem Hamza A. , Aouad Mohamed Reda , Al‐Abdulkarim Hessah A. , Alsaedi Wael H. , Khushaim Muna S. , Feizi‐Dehnayebi Mehran , Al‐Ghamdi Khalaf , Abu‐Dief Ahmed M.
Published: September 2024

The synthesis and structural analysis of complexes derived from (E)‐N′‐(3,5‐di‐tert‐butyl‐2‐hydroxybenzylidene) isonicotino hydrazide (ITB ligand) were examined using multiple analytical techniques. These techniques included TGA, decomposition point determination, elemental analysis (CHN), spectroscopic (IR, NMR, mass spectrometry) analysis, magnetic susceptibility, conductivity, as well UV–Vis spectrum analysis, along with theoretical studies. Molar conductance values indicated that the Cd (II), Co (II), Cu (II), Ni (II), and Zn (II) complexes are non‐electrolytes in fresh DMSO solutions, with conductance values ranging from 8.5 to 14.35 Ω−1 cm2 mol−1. IR spectra suggested which the ligand coordinates through the metal ions in a tridentate fashion, utilizing the (N & O) donor sites from the (CN & CO & CO) groups in the hydroxybenzylidene moiety. Analytical data from solution complexation, job's method suggested a 1:1 (metal:ligand) molar ratio. The stability order of the complexes was determined as ITBCo > ITBCu > ITBNi > ITBZn > ITBCd, consistent with the stability constant (Kf) values. The pH profile indicated that the studied complexes exhibit stability upon a wide pH scale, typically between (pH = 4:10). Magnetic and electronic spectral analyses helped deduce the ligand coordination abilities and the geometric structures of the complexes. In vitro (antimicrobial & anticancer) performances of the studied complexes were tested versus various (microbial strains & cancer cell lines), revealing higher activity in the chelates assessed to the free (ITB) ligand. The antioxidant potential was also assessed using the DPPH assay. Finally, molecular docking was performed toward estimate the binding efficiency between various protein receptors and the compounds, with results aligning with the biological investigations.
High Surface Area Nanoporous Carbon‐Ceria Composites for CO2 Capture and Enzyme‐Mimicking Action
Authors: Singh Gurwinder , Maria Ruban Ajanya , Kaur Harleen , Patel Vaishwik , Ismaili Arsh A. , Bahadur Rohan , Vinu Ajayan
Published: September 2024

Nanoporous carbon‐based composites with metal oxides have great potential for various applications including adsorption and sensing owing to their multiple properties. However, the fabrication of these nanocomposites without affecting these multiple properties is challenging. Herein, a series of nanoporous carbon‐based nanocomposites with cerium nanoparticles are synthesized through a combination of high‐temperature carbonization and ex‐situ modification with cerium precursor. The prepared nanocomposites have appreciable surface areas, pore volumes, tunable pore sizes, and a controlled amount of surface nanoceria, all of which can be precisely controlled by varying the amount of KOH and cerium nitrate hexahydrate used for nanoceria generation. The porous carbon PC‐3 was used for modification using nanoceria and the modified materials showed higher performance for the intended applications. The CO2 adsorption per unit surface of PC‐3 (2.4 μmol m−2) increased to 2.9 μmol m−2 in Ce‐PC‐3–0.5. Furthermore, the composite materials displayed higher heat of adsorption (Qst) than bare materials, indicating stronger interactions with CO2. Interestingly, the least amount of nanoceria (CePC‐3–0.25) was effective in enhancing the superoxide dismutase (SOD) and catalase activity.
Effect of acute kidney injury and overall survival in patients with postoperative head and neck cancer who received chemoradiotherapy with cisplatin: A supplementary analysis of the phase II/III trial of JCOG1008
Authors: Imamura Yoshinori , Kiyota Naomi , Tahara Makoto , Kodaira Takeshi , Hayashi Ryuichi , Nishino Hiroshi , Asada Yukinori , Mitani Hiroki , Iwae Shigemichi , Nishio Naoki , Onozawa Yusuke , Hanai Nobuhiro , Ohkoshi Akira , Hara Hiroki , Monden Nobuya , Nagaoka Masato , Minami Shujiro , Kitabayashi Ryo , Sasaki Keita , Homma Akihiro ,   the Head and Neck Cancer Study Group of the Japan Clinical Oncology Group (JCOG‐HNCSG)
Published: September 2024

Background

In a randomized phase II/III trial (JCOG1008), weekly cisplatin (40 mg/m2) was non‐inferior to 3‐weekly cisplatin (100 mg/m2) for postoperative high‐risk head and neck cancer. We investigated how acute kidney injury (AKI), a major dose‐limiting toxicity effect of cisplatin, affects overall survival (OS).

Methods

We analyzed 251 patients from JCOG1008 receiving chemoradiotherapy. AKI was defined based on AKI Network criteria (serum creatinine increase of ≥0.3 mg/dL or ≥1.5‐fold [≥ stage I]) within 30 days after completing chemoradiotherapy. OS in the two arms was compared according to AKI development using the log‐rank test.

Results

The total incidence of AKI was lower in the weekly arm than in the 3‐weekly arm (38/122 [31.1%] vs. 56/129 [43.4%]). Additionally, stage II/III AKI occurred less frequently in the weekly arm than in the 3‐weekly arm (8/122 [6.6%] vs. 19/129 [14.7%]). Cisplatin doses were similar in the weekly arm for patients with and without AKI (median, 238.6 mg/m2 vs. 239.2 mg/m2; p = 0.94), but lower in the 3‐weekly arm for those who developed AKI (median, 276.3 mg/m2 vs. 297.4 mg/m2; p = 0.007). In the weekly arm, there was no difference in OS between patients with and without AKI (hazard ratio [HR], 1.06; 95% confidence interval [CI], 0.53 to 2.10). However, in the 3‐weekly arm, patients with AKI had poorer OS than those without AKI (HR, 1.83; 95% CI, 1.04 to 3.21).

Conclusions

In this supplementary analysis of JCOG1008 data, AKI impacted the OS of patients with head and neck cancer undergoing postoperative chemoradiotherapy in the 3‐weekly arm but not in the weekly arm. Our results further endorse the utilization of weekly cisplatin at 40 mg/m2 in this setting.
Efficacy and Effectiveness Outcomes of Treatments for Double‐Exposed Chronic Lymphocytic Leukemia and Small Lymphocytic Lymphoma Patients: A Systematic Literature Review
Authors: Zuber Mohammed , Akkala Sreelatha , Li Niying , Veettil Sajesh K. , Tan Chia Jie , Villa Zapata Lorenzo
Published: September 2024

Background

Bruton's tyrosine kinase inhibitors (BTKi) and the B‐cell lymphoma 2 (BCL2) inhibitor venetoclax have significantly improved outcomes and achieved durable remission in patients with chronic lymphocytic leukemia (CLL). BTKi/venetoclax‐treated patients with exposure to both novel agents (regardless of the reason for discontinuation) are classified as “double‐exposed,” and often have poor prognoses. This study aims to assess the efficacy and effectiveness of treatments in double‐exposed CLL patients.

Methods

PubMed, Embase, and Web of Science databases were searched until December 2023.

Results

We retrieved 3948 articles for screening and included 13 publications covering nine distinct studies. Three clinical trials reported a median PFS of 16.8 months with pirtobrutinib, 13 months with lisocabtagene maraleucel, and 10.1 months with nemtabrutnib. ORR ranged from 58% with nemtabrutinib and 80% with lisocabtagene maraleucel. In observational studies, PFS ranged from 3 months with chemoimmunotherapy to 12 months with BTKi, and ORR ranged from 31.8% with chemoimmunotherapy to 85.7% with chimeric antigen receptors (CAR) T‐cell therapy.

Conclusion

This study highlights the limited clinical data on efficacy outcomes for double‐exposed CLL/SLL patients. Pirtobrutinib, lisocabtagene maraleucel, and a combination of ibrutinib and venetoclax have shown promising effects. However, the scarcity of treatment options and efficacy data for patients who have failed BTKi and venetoclax underscores a significant unmet medical need.
Phytochemical Analysis and Assessment of Antioxidant and Enzyme Inhibitory Activity of Alchemilla pseudocartalinica Juz.
Authors: Uzunkaya Çağla , Gökkaya İçim , Akkaya Didem , Šoral Michal , Seyhan Gökçe , Barut Burak , Abdullah Yilmaz Mustafa , Renda Gülin
Published: September 2024

This study aimed to evaluate and compare the antioxidant capacity and enzyme inhibitory activity of extracts, sub‐extracts, and fractions prepared from the aerial parts and roots of A. pseudocartalinica. The phytochemical content of the active extracts was also analyzed. According to the results, ellagic acid (38.42 mg/g) was the major compound in the aerial part methanol extract and catechin (185.30 mg/g) in the root methanol extract. The DPPH inhibition activity of all fractions was monitored, with the most active one (Fr B) reaching an IC50 value of (4.92±0.59 μg/mL). All the fractions prepared from the aerial parts’ water sub‐extract showed higher a‐glucosidase inhibitory activity than the positive control acarbose. In the tyrosinase assay, Fr B (58.81±7.50 μg/mL) exhibited the highest inhibitory actions among all fractions. The structure of the major substances of the most active fraction were elucidated as quercetin 7‐O‐β‐glucopyranosyl‐3‐O‐β‐glucuronopyranoside‐ (1), and α‐[(2‐formyl‐5‐hydroxymethyl)pyrrol‐1‐yl]aspartic acid (2).
Blockchain and the lifecycle of components—An approach
Authors: Meinen Heiko , Dreyer Julian , Kock Katrin , Huebner Roman
Published: September 2024

Buildings involve multiple participants and materials that must work together throughout their life cycle, from initial planning to decommissioning and recycling. This can create safety concerns, particularly with regard to critical components. Detailed documentation and tracking of product characteristics are necessary, as well as outlining the related obligations of the parties involved. Currently, this problem is often addressed by numerous contracts and paper‐based building documentation. Blockchain technology could prove to be a future‐oriented solution to such use cases. Additionally, so‐called Smart Contracts, which are custom‐designed applications running on the given Blockchain platform, can be an appropriate way for documentation in the construction and facility management process since they allow distribution of their execution to the entirety of the involved Blockchain participants. Based on this approach, this paper presents a platform solution that provides up‐to‐date product information on various components. The outcome is a system that facilitates digital documentation on a secure legal foundation, with an interface tailored to the specific terms and conditions of each partner involved in the construction and maintenance process.
Pyridalthiadiazole‐Based Molecular Chromophores for Defect Passivation Enables High‐Performance Perovskite Solar Cells
Authors: Min Zhangtao , Wang Bei , Kong Yuxin , Guo Junjun , Ling Xufeng , Ma Wanli , Yuan Jianyu
Published: September 2024

Passivation of defects at the surface and grain boundaries of perovskite films has become one of the most important strategies to suppress nonradiative recombination and improve optoelectronic performance of perovskite solar cells (PSCs). In this work, two conjugated molecules, abbreviated as CPT and SiPT, are designed and synthesized as the passivator to enhance both efficiency and stability of PSCs. The CPT and SiPT contain pyridalthiadiazole (PT) units, which can coordinate with undercoordinated Pb2+ at the surface and grain boundaries to passivate the defects in perovskite films. In addition, with the incorporation of CPT, the crystallized perovskite films exhibit more uniform grain size and smoother surface morphology relative to the control ones. The efficient passivation by CPT also results in better charge extraction and less carrier recombination in PSCs. Consequently, the CPT‐passivated PSCs yield the highest power conversion efficiency (PCE) of 23.14 % together with better storage stability under ambient conditions, which is enhanced relative to the control devices with a PCE of 22.14 %. Meanwhile, the SiPT‐passivated PSCs also show a slightly enhanced performance with a PCE of 22.43 %. Our findings provide a new idea for the future design of functional passivating molecules towards high‐performance PSCs.
A case of gastrointestinal perforation following transarterial embolization for an intramural hematoma after cold snare polypectomy of an adenoma in the transverse colon
Authors: Kodama Yuu , Mizokami Yuji , Toyama Yuzo , Kusaka Hiroyasu , Maeda Gen , Asahara Shingo , Nagahama Ryuji , Horiguchi Shin‐ichiro , Aoyama Hiroki
Published: September 2024

We encountered a case of a large hematoma developing with perforation shortly after a cold snare polypectomy for a colorectal adenoma. The patient underwent cold snare polypectomy for a 3‐mm type Is lesion in the transverse colon at another facility. Two hours later, she visited the emergency room due to abdominal pain. Contrast‐enhanced computed tomography revealed a 70 mm, high‐intensity mass in the transverse colon with contrast extravasation. We attempted transcatheter arterial embolization to stop the bleeding. Several hours later, the anemia had not worsened, but the severe abdominal pain persisted. Urgent laparoscopic right hemicolectomy was performed due to the possibility of gastrointestinal perforation. The surgery was successfully completed. Pathology reports confirmed the presence of an intramural hematoma in the proximal transverse colon with hemorrhagic infiltration of all layers, along with extensive ischemic changes. A perforation was identified in this area, with mucosal defects observed near the hole, possibly due to cold snare polypectomy.
Numerical study of dynamic stall effects on VR‐12 airfoil with pitch oscillation and accelerated inflow
Authors: Zolghadr Behzad , Khoshnevis Abdolamir B.
Published: September 2024

This study investigates the effects of positive horizontal acceleration of the freestream velocity on a pitch‐oscillating VR‐12 airfoil using computational fluid dynamics. The shear stress transport k–ω model, coupled with a low‐Reynolds number correction, was employed for Re <105 during dynamic stall. The flow equations were solved in two‐dimensional, incompressible form using the finite volume method. The study examined various parameters, including positive acceleration values of the inflow and the angle of attack of the airfoil, to determine their impact on lift and drag coefficients, as well as the ratio. Additionally, the maximum lift coefficient was analyzed under different inflow and airfoil motion conditions. The results indicate that aerodynamic force coefficients and the ratio are influenced by both the attack angle and the acceleration of the inflow. Furthermore, inflow acceleration affects the onset of dynamic stall conditions. Generally, inflow acceleration modifies the lift coefficient of the airfoil during the upstroke, while having minimal effect on the drag coefficient, except near dynamic stall points. The findings also suggest that, for a specific airfoil, the sequence of factors with the greatest influence on lift force generation before static stall occurs is as follows: asymmetric airfoil oscillation, symmetrical airfoil oscillation, accelerated inflow, constant velocity inflow, and static airfoil.
Analysis of the load‐bearing characteristics of hydraulic supports for top‐coal caving under the impact of coal and gangue
Authors: Cao Lianmin , Xu Yongxin , He Can , Zhang Enming , Miao Yingfa
Published: September 2024

To study the effect of different sizes and speeds of coal gangue falling on hydraulic supports for top‐coal caving discharge hydraulic support on the bearing characteristics of the hydraulic support, the ADAMS hydraulic support rigid‐flexible coupling analysis model was established. HyperMesh is used to flexibly process the hydraulic support, and the column and jack are equivalently replaced by spring damping system. By applying step loads of different sizes and speeds to simulate the impact force generated when the coal gangue falls on different positions of the cover beam, the dynamic response characteristics of the column, balance jack and other articulation points are obtained. Analyses show that: when the impact load is closer to the roof beam, the articulation point of the roof beam‐cover beam and the balancing jack are easy to be damaged. When the same impact load is applied to the cover beam, the faster the load is applied, the hydraulic support column and balancing jack may not be able to absorb and disperse the pressure effectively in time, resulting in the articulation points being subjected to a larger impact force, which is easy to cause damage or destruction. When different sizes and speeds of impact loads are applied to the cover beam, the latter has a greater impact on the dynamic response of the front and rear connecting rod articulation points and the cover beam‐roof beam articulation point than the former, and the hydraulic bracket will be more prone to vibration, deformation, and stress concentration, thus affecting the stability and safety of the bracket. The article is of guiding significance for designing and optimizing the structure and parameters of the hydraulic support, and improving the support performance and stability of the hydraulic support in the comprehensive release working face.
Comparing lactic acid bacteria biodiversity in irritable bowel syndrome and healthy gut microbiota
Authors: Azimi Aysooda , Yavarmanesh Masoud , Gholamin Mehran
Published: September 2024

Irritable bowel syndrome (IBS) is a prevalent gut disorder linked to changes in the gut microbiota, including lactic acid bacteria (LAB). However, research on LAB biodiversity in IBS patients is limited. This study aimed to compare LAB microbiota in healthy individuals and those with IBS through biochemical and molecular techniques. Fecal samples from 15 IBS patients and 13 healthy individuals were collected, and LAB were isolated using biochemical methods. Fifty isolates were chosen based on Gram staining and catalase tests and identified through 16S rRNA gene sequencing. A phylogenetic tree was used to analyze strain diversity, and correlation diagrams and swarm plots were employed to explore variable relationships. The study revealed a significant difference in LAB numbers between IBS and healthy subjects, with average of 5.91 and 6.63, respectively. Most bacteria were Gram‐positive cocci or bacilli, with homofermentative characteristics, except for one heterofermentative sample from the healthy group. Both IBS and healthy groups exhibited strains from Lactobacillus and Enterococcus genera, with Enterococcus faecium being predominant in both. Demographic analysis showed higher IBS prevalence among individuals aged 20–40, with IBS‐C more common in women and IBS‐D in men. The study concluded that individuals with IBS had significantly lower LAB microbiota counts, potentially impacting intestinal defense function. Further exploration of LAB behavioral and immunomodulatory traits may enhance understanding of intestinal microbiota's role in IBS and aid in developing treatment strategies.
Efficacy of virtual reality therapy versus pharmacological sedation for reducing pain and anxiety during coronary catheterisation procedures: A prospective randomised controlled trial
Authors: Verain Julien , Trouillet Charlotte , Moulin Fréderic , Christophe Charles
Published: September 2024

Background and Aims

The use of virtual reality (VR) therapy has grown considerably, as it is effective for reducing pain and anxiety in different clinical areas. However, it has not been well evaluated for coronary angiography and angioplasty. This study aimed to compare VR therapy with pharmacological sedation (Sedation) for reducing pain in patients undergoing a planned coronary angiography or coronary/peripheral angioplasty.

Methods

In this prospective randomized controlled trial, patients were randomly allocated to one of two groups before catheterization: a Sedation group (injection of midazolam and fentanyl) or a VR group (Deepsen VR headset). The primary outcome measure was the maximum pain during the procedure (visual analogue scale: 0–10). The secondary outcome measures were anxiety following the procedure (Spielberger State Anxiety Inventory: 20–80), the occurrence of arterial spasm, the haemodynamic profile and patient satisfaction.

Results

The VR group (n = 63) had a mean pain rating of 2.5; for the Sedation group (n = 59) this was 1.0. This did not meet the criterion for non‐inferiority. Anxiety was comparable between the two groups (VR: 25.4; Sedation: 24.7), as was the occurrence of arterial spasm (VR: 7.9%; Sedation: 8.5%; p = 0.91), but blood pressure was higher in the VR group (140.2/71.7 mmHg vs. 121.8/64.7 mmHg). There were no VR‐related adverse effects, and patient satisfaction was high for both groups.

Conclusions

Virtual reality therapy was not non‐inferior to pharmacological sedation for reducing pain during coronary angiography or angioplasty. However, it reduced anxiety to a comparable level. Virtual reality therapy represents an alternative to pharmacological sedation, which is well accepted by patients.
The trends and outcomes of inflammatory bowel disease surgery during the COVID‐19 pandemic: A retrospective propensity score‐matched analysis from a multi‐institutional research network
Authors: Wu Fiona , Ibarburu Gema H. , Grimes Caris
Published: September 2024

Background and Aims

The coronavirus disease 2019 (COVID‐19) pandemic has affected the management of inflammatory bowel disease (IBD) patients. Elective operations and surveillance endoscopies were postponed for IBD patients to preserve healthcare resources and to prevent the spread of COVID‐19. This study aimed to describe the trends and outcomes of IBD surgery during the pandemic.

Methods

This was a retrospective propensity score‐matched analysis using data extracted from TriNetX, a multi‐institutional research database. IBD patients admitted for surgery were identified between March 2019 to February 2020 (prepandemic) and March 2020 to February 2023 (pandemic). The monthly volume of IBD surgical procedures was compared during the pandemic to the prepandemic period. After matching, the risk of adverse outcomes following IBD surgery was compared between the 3 years of the pandemic compared to the prepandemic cohort.

Results

There was a reduction in both elective and emergency IBD operations during the pandemic. These trends were not significant. After matching, the risks of returning to theaters and hospital readmission were comparable across the 3 years of the pandemic. In the first and second years of the pandemic, elective patients were at a greater risk of mortality (risk ratio [RR], 2; 95% confidence interval [CI], 1.160–3.448 and RR, 1.778; 95% CI, 1.003–3.150, respectively) and the emergency cohort had a higher risk of critical care admission (RR, 1.759; 95% CI, 1.126–2.747 and RR, 1.742; 95% CI, 1.131–2.682, respectively).

Conclusion

Our study highlights the impact of the COVID‐19 pandemic on the management of IBD patients undergoing surgery. These results provide insights into the management of IBD surgery during times of crisis and can help guide decision‐making and resource allocation for IBD patients requiring surgical intervention.
Potential association between allergenic food exposure and skin disease in Bangladesh: An application of principal component logistic regression (PCLR)
Authors: Khan Md. Abrar Ashfaq , Babu Md. Rashed , Tasnim Sumaiya , Tarannum Atiya , Haque Mohammad Anamul , Sultana Nahid , Ullah Mohammad Ohid
Published: September 2024

Background and Aim

Allergenic foods can trigger skin conditions, yet their impact in Bangladesh remains underexplored. This study aims to investigate the potential association between exposure to allergenic foods and the development of skin disease across Bangladesh.

Methods

We conducted a cross‐sectional survey with 970 respondents from the divisions of Dhaka, Sylhet, Rangpur, and Chattogram who self‐reported skin disease triggered by food allergens. We analyzed the data using multiple response analysis and principal component logistic regression.

Results

Approximately 64% of respondents had skin disease attributable to allergenic foods, with a relatively higher proportion among females (52%) than males (48%). Beef (67%), Brinjal (47.1%), Hilsa (45.8%), and Shrimp (23.7%) were the most frequently cited allergenic foods. Principal component logistic regression identified two highly significant principal components: the first representing Hilsa, Beef, and Brinjal (odds ratio = 2.256), and the sixth reflecting Corn (odds ratio = 1.342). Individuals who consumed foods with high loadings of the first principal component were 125.6% more likely to develop skin disease than nonconsumers, while those exposed to Corn had a 34.2% higher risk.

Conclusion

The findings highlight prevalent allergenic foods in Bangladesh and their substantial impact on skin health, underscoring the need for dietary awareness and tailored interventions to mitigate allergic skin conditions in this population.
Embracing complexities in agricultural water management through nexus planning
Authors: Smith Mark D. , Sikka Alok , Taguta Cuthbert , Dirwai Tinashe L. , Mabhaudhi Tafadzwanashe
Published: September 2024

A major challenge for agricultural water management (AWM) in the 21st century is to feed a growing population in the face of increasing intersectoral resource competition, evolving diets, degradation, pandemics, geopolitical conflicts and climate change. This has to be achieved within the planetary boundaries and without compromising the livelihood and environmental (ecosystem) objectives linked to water, including provisioning, supporting and regulating services. This paper uses a systems and nexus lens to unravel the centrality and complexities in AWM, with particular emphasis on the interconnected dimensions and objectives of AWM, as well as its practices and technologies. AWM exists beyond water and food with linkages to human and environmental well‐being. AWM needs to catalyse transformation and integrate approaches across systems, users and scales to meet its objectives in a changing climate. It must provide perspectives beyond productivity, managing water risks and safeguarding food security – as important as these are – and integrate our understanding of the interconnected climate, land, water, food and ecosystems to address planetary health outcomes. By doing so, AWM could catalyse contextualised, equitable, innovative solutions that acknowledge local socio‐economic and institutional structures and limitations while catalysing sustainable development and climate resilience.
Assessing the Inhibitory Potential of Pregnenolone Sulfate on Pentraxin 3 in Diabetic Kidney Disease: A Molecular Docking and Simulation Study
Authors: Das Soumik , Ramanathan Gnanasambandan
Published: September 2024

Diabetic Kidney Disease (DKD), a frequent consequence of diabetes, has substantial implications for both morbidity and mortality rates, prompting the exploration of new metabolic biomarkers due to limitations in current methods like creatinine and albumin measurements. Pentraxin 3 (PTX3) shows promise for assessing renal inflammation in DKD. This study investigates how DKD metabolites could influence PTX3 expression through molecular docking, ADMET profiling, and dynamic simulation. Network and pathway analyses were conducted to explore metabolite interactions with DKD genes and their contributions to DKD pathogenesis. Thirty‐three DKD‐associated metabolites were screened, using pentoxifylline (PEN) as a reference. The pharmacokinetic properties of these compounds were evaluated through molecular docking and ADMET profiling. Molecular dynamics simulations over 200 ns assessed the stability of PTX3 (apo), the PRE‐PTX3 complex, and PEN‐PTX3 across multiple parameters. Cytoscape identified 1082 nodes and 1381 edges linking metabolites with DKD genes. KEGG pathway analysis underscored PTX3's role in inflammation. Molecular docking revealed pregnenolone sulfate (PRE) with the highest binding affinity (−6.25 kcal/mol), followed by hydrocortisone (−6.03 kcal/mol) and 2‐arachidonoylglycerol (−5.92 kcal/mol), compared to PEN (−5.35 kcal/mol). ADMET profiling selected PRE for dynamic simulation alongside PEN. Analysis of RMSD, RMSF, RG, SASA, H‐bond, PCA, FEL, and MM‐PBSA indicated stable complex behavior over time. Our findings suggest that increasing PRE levels could be beneficial in managing DKD, potentially through isolating PRE from fungal sources, synthesizing it as dietary supplements, or enhancing endogenous PRE synthesis within the body.
A Novel Assay Reveals the Early Setting‐Up of Membrane Repair Machinery in Human Skeletal Muscle Cells
Authors: d'Agata Léna , Rassinoux Phoebe , Gounou Céline , Bouvet Flora , Bouragba Dounia , Mamchaoui Kamel , Bouter Anthony
Published: September 2024

Defect in membrane repair contributes to the development of muscular dystrophies such as limb girdle muscular dystrophy (LGMD) type R2 or R12. Nevertheless, many other muscular dystrophies may also result from a defect in this process. Identifying these pathologies requires the development of specific methods to inflict sarcolemma damage on a large number of cells and rapidly analyze their response. We adapted a protocol hitherto used to study the behavior of cancer cells to mechanical constraint. This method is based on forcing the passage of cells through a thin needle, which induces shear stress. Due to size considerations, this method requires working with mononuclear muscle cells instead of myotubes or muscle fibers. Although functional sarcolemma repair was thought to be restricted to myotubes and muscle fibers, we show here that 24h‐differentiated myoblasts express a complete machinery capable of addressing membrane damage. At this stage, muscle cells do not yet form myotubes, revealing that the membrane repair machinery is set up early throughout the differentiation process. When submitted to the shear‐stress assay, these cells were observed to repair membrane damage in a Ca2+‐dependent manner, as previously reported. We show that this technique is able to identify the absence of membrane resealing in muscle cells from patient suffering from LGMDR2. The proposed technique provides therefore a suitable method for identifying cellular dysregulations in membrane repair of dystrophic human muscle cells.
Assessing gaps in predoctoral dental curriculum for LGBTQ+ specific content
Authors: Tamayo‐Cabeza Guillermo , Albright Amanda , Yalamanchi Sriha , Newton April D. , Weber Zachary A. , Shukla Anubhuti
Published: September 2024

Background

Despite growing recognition of health disparities faced by the Lesbian, Gay, Bisexual, Transgender, Queer (or Questioning) (LGBTQ+) population, significant gaps remain for inclusion of LGBTQ+ content in health professions education, particularly dental curricula. This study aims to address these gaps by investigating the integration of LGBTQ+ content in a midwestern dental school curriculum.

Methods

Curriculum mapping and focus group discussions were utilized to identify gaps and recommend integrating LGBTQ+ content into a predoctoral dental curriculum. The Doctor of Dental Surgery program was mapped to identify LGBTQ+ specific content relevant to cultural competency. A focus group of nine faculty members provided insights and recommendations, with data transcribed and analyzed for themes.

Results

Out of 121 courses, 28 included or had potential for LGBTQ+ content, with 16 already inclusive and 12 involving direct patient interaction. Integration varied, highest in the first year (28.6%) and lowest in the fourth year (5%). Focus group themes included the need for broader awareness and education about LGBTQ+ health, integrating topics into basic and behavioral science courses, and addressing practical clinical skills (e.g., using pronouns). Barriers included personal discomfort, lack of formal training, and potential conflicts with personal or religious beliefs.

Conclusions

This study highlighted the need for increased faculty awareness and enhanced inclusion of LGBTQ+ content throughout the predoctoral dental curriculum to prepare future practitioners for culturally competent care.
Phosphorus lability across diverse agricultural contexts with legacy sources
Authors: Simpson Zachary P. , Mott Joshua , Elkin Kyle , Buda Anthony , Faulkner Joshua , Hapeman Cathleen , McCarty Greg , Foroughi Maryam , Hively W. Dean , King Kevin , Osterholz Will , Penn Chad , Williams Mark , Witthaus Lindsey , Locke Martin , Pawlowski Ethan , Dalzell Brent , Feyereisen Gary , Dolph Christine , Bjorneberg David , Nouwakpo Kossi , Rogers Christopher W. , Scott Isis , Bolster Carl H. , Duriancik Lisa , Kleinman Peter J. A.
Published: September 2024

The buffering of phosphorus (P) in the landscape delays management outcomes for water quality. If stored in labile form (readily exchangeable and bioavailable), P may readily pollute waters. We studied labile P and its intensity for >600 soils and sediments across seven study locations in the United States. Stocks of labile P were large enough to sustain high P losses for decades, indicating the transport‐limited regime typical of legacy P. Sediments were commonly more P‐sorptive than nearby soils. Soils in the top 5 cm had 1.3–3.0 times more labile P than soils at 5–15 cm. Stratification in soil test P and total P was, however, less consistent. As P exchange via sorption processes follows the difference in intensities between soil/sediment surface and solution, we built a model for the equilibrium phosphate concentration at net zero sorption (EPC0) as a function of labile P (quantity) and buffer capacity. Despite widely varying properties across sites, the model generalized well for all soils and sediments: EPC0 increased sharply with more labile P and to greater degree when buffer capacity was low or sorption sites were likely more saturated. This quantity–intensity–capacity relationship is central to the P transport models we rely on today. Our data inform the improvement of such P models, which will be necessary to predict the impacts of legacy P. Further, this work reaffirms the position of labile P as a key focus for environmental P management—a view Dr. Sharpley developed in the 1980s with fewer data and resources.
Palaeoenvironmental implications of Late Quaternary bioerosion traces in central Patagonia (Southern Atlantic, Argentina)
Authors: Giachetti Luciana M. , Richiano Sebastián , Rubio‐Sandoval Karla , Giachetti Clara B. , Ryan Deirdre D. , Kaufman Darrell S. , Bright Jordon , Mari Florencia , Rovere Alessio , Fernández Diana E.
Published: September 2024

Bioerosion is a valuable tool for inferring palaeoenvironmental and palaeoclimatic changes over time and across different regions. However, studies of bioerosion traces are scarce in the Southern Hemisphere. Most ichnological studies within Argentina are concentrated in San Jorge Gulf (Patagonia, Argentina) and little is known about deposits located north of the Gulf. Here, we focus on bioerosion traces on Quaternary mollusc shells. Samples were collected from Quaternary marine deposits at the Bahía Vera–Cabo Raso sites in northern San Jorge Gulf. To resolve age discrepancies reported in the literature, we use amino acid racemization and radiocarbon dating to confirm the presence of beach ridge deposits from Marine Isotope Stage (MIS) 5 and MIS 1. Fourteen ichnotaxa are recorded in the study area. Additionally, distinct variations in the pattern of bioerosion across different ages are observed, indicating that environmental changes occurred in the northern San Jorge Gulf between the MIS 5 interglacial and the Holocene. This reinforces the hypothesis that there is an association between bioerosion, productivity and circulation in the Southern Atlantic Ocean.
Hydrophobic Aerogels and Xerogels based on Trimethoxybenzene‐Formaldehyde
Authors: Anklam Thomas , Tannert René
Published: September 2024

Phenolic aerogels based on resorcinol‐formaldehyde (RF) are among the best thermally insulating materials. However, the hydrophilicity inherent to the free phenolic moiety of RF gels generally limits their actual range of applications. Prior efforts to render phenolic gels hydrophobic are restricted to post‐synthetic functionalizations of hydrophilic gels, processes that are often limited in efficiency, scope, and/or longevity. Here, an acid‐mediated conversion of 1,3,5‐trimethoxybenzene with formaldehyde is reported, yielding monolithic trimethoxybenzene‐formaldehyde (TMBF) aerogels and xerogels with low density (0.11–0.30 g cm−3), high porosity (74–92 %), inner surface areas (SBET) of up to 284 m2 g−1, and thermal conductivity of 34.5–43.9 mW m−1 K−1. For a monolithic xerogel based on TMBF xerogels an unprecedently low thermal conductivity of 34.5 mW m−1 K−1 could be achieved. In addition, all TMBF gels are thermally stable (degradation >280‐310 °C) and highly hydrophobic (water contact angles 130°–156°). As such, TMBF serves as a new class of inherently hydrophobic aerogels and xerogels and useful complement to RF materials.
A novel methodology to develop low‐intensity psychological treatments
Authors: Davey Emily , Bennett Sophie D. , Bryant‐Waugh Rachel , Micali Nadia , Shafran Roz
Published: September 2024

Introduction

Only a minority of individuals with mental health disorders receive specialist treatment. Low‐intensity psychological therapies, like guided self‐help, have the potential to bridge this global treatment gap. However, a systematic process for developing such therapies has not been proposed. This study proposes a systematic process for developing low‐intensity psychological treatments, exemplified by a low‐intensity Cognitive Behavioral Therapy (CBT) intervention for children and young people with eating disorders.

Methods

A systematic, three‐step process is presented. Firstly, a common elements analysis is conducted within the three pillars of evidence‐based practice (research, clinical expertise, and patient preferences). Secondly, a coding matrix is used to synthesize the common elements across these three pillars. Finally, patient and public involvement (PPI) feedback is incorporated for intervention refinement.

Results

Applying this methodology led to the development of an eight‐module, low intensity CBT intervention for children and young people with eating disorders, covering topics such as regular eating, body image, social media, and managing emotional triggers.

Conclusion

The intervention derived from this novel methodology is evidence‐informed and considers implementation into routine practice from the outset. This systematic approach to developing low intensity psychological interventions holds promise for closing the treatment gap irrespective of therapeutic orientation or disorder.