bluuebunny/crossref_metadata_2025 huggingface dataset:
Multifunctional Au@AgBiS2 Nanoparticles as High‐Efficiency Radiosensitizers to Induce Pyroptosis for Cancer Radioimmunotherapy
Authors: Xiao Liang , Chen Benjin , Wang Wanni , Tian Tian , Qian Haisheng , Li Xiaohu , Yu Yongqiang
Published: September 2023

Radiotherapy (RT), a widely used clinical treatment modality for cancer, uses high‐energy irradiation for reactive oxygen species (ROS) production and DNA damage. However, its therapeutic effect is primarily limited owing to insufficient DNA damage to tumors and harmful effects on normal tissues. Herein, a core‐shell structure of metal–semiconductors (Au@AgBiS2 nanoparticles) that can function as pyroptosis inducers to both kill cancer cells directly and trigger a robust anti‐tumor immune against 4T1 triple‐negative murine breast cancer and metastasis is rationally designed. Metal‐semiconductor composites can enhance the generation of considerable ROS and simultaneously DNA damage for RT sensitization. Moreover, Au@AgBiS2, a pyroptosis inducer, induces caspase‐3 protein activation, gasdermin E cleavage, and the release of damage‐associated molecular patterns. In vivo studies in BALB/c mice reveal that Au@AgBiS2 nanoparticles combined with RT exhibit remarkable antitumor immune activity, preventing tumor growth, and lung metastasis. Therefore, this core‐shell structure is an alternative for designing highly effective radiosensitizers for radioimmunotherapy.
Perspective: Zinc‐Tin Oxide Based Memristors for Sustainable and Flexible In‐Memory Computing Edge Devices
Authors: Silva Carlos , Deuermeier Jonas , Zhang Weidong , Carlos Emanuel , Barquinha Pedro , Martins Rodrigo , Kiazadeh Asal
Published: September 2023

As the Internet of things (IOT) industry continues to grow with an ever‐increasing number of connected devices, the need for processing large amounts of data in a fast and energy‐efficient way becomes an even more pressing issue. Alternative computation devices such as resistive random access memories (RRAM), or memristors, started taking centre stage as prime candidates to tackle this issue due to their in‐memory computation capabilities. Amorphous oxide semiconductors (AOSs), more specifically eco‐friendly zinc‐tin oxide (ZTO), show great promise as a memristive active material for flexible and sustainable applications due to its low required fabrication temperature, amorphous structure, low‐cost, and critical‐raw‐material‐free composition. In this perspective article, the research progress on ZTO‐based memristors is reviewed in terms of device structure and material compositions. The effects on the electrical performance of the devices are studied. Additionally, neuromorphic and optoelectronic capabilities are analyzed with the objective of finding the best approaches toward implementing these devices in novel computing paradigms.
Nontariff measures and production allocation decisions of cereal farmers in Ghana
Authors: Onumah Edward E. , Martey Edward , Brümmer Bernhard
Published: September 2023

Using exogenous variation in trade shocks, this study examines the association between nontariff measures and cereal production allocation decisions among commercial farmers in Ghana. We study nontariff measures from both an extensive (experience of nontariff measures) and an intensive (cost of nontariff measures) perspective using a sample of 455 cereal farmers in Ghana. We employ the seemingly (un)related regression (SURE) and the inverse probability weighting with regression adjustment (IPWRA) to estimate the effect of nontariff measures on production allocation decisions. The result shows that nontariff measures are associated with lower cereal production and intensity of cereal commercialization but positively associated with the consumption of cereals. The results are robust after controlling for potential endogeneity using the Lewbel 2SLS. In addition, we find that our results are not likely to be driven by unobserved heterogeneity. We find evidence of consistent and robust estimates of nontariff measures when the IPWRA model is applied and compared to the SURE estimates. Overall, our study shows that nontariff measures can be a depressive pathway to cereal sustainable production and commercialization with associated policy implications for economic development [EconLit Citations: F1, F13, E23, Q13].
Engineering singlet and triplet excitons of TADF emitters by different host‐guest interactions
Authors: Zhang Wei , Kong Jie , An Rui Zhi , Zhang Jiachen , Zhou Yujie , Cui Lin‐Song , Zhou Meng
Published: September 2023

Understanding the host‐guest interactions for thermally activated delayed fluorescence (TADF) emitters is critical because the interactions between the host matrices and TADF emitters enable precise control on the optoelectronic performance, whereas technologically manipulating the singlet and triplet excitons by using different kinds of host‐guest interactions remains elusive. Here, we report a comprehensive picture that rationalizes host‐guest interaction‐modulated exciton recombination by using time‐resolved spectroscopy. We found that the early‐time relaxation is accelerated in polar polymer because dipole‐dipole interaction facilitates the stabilization of the 1CT state. However, an opposite trend is observed in longer delay time, and faster decay in the less polar polymer is ascribed to the π‐π interaction that plays the dominant role in the later stage of the excited state. Our findings highlight the technological engineering singlet and triplet excitons using different kinds of host‐guest interactions based on their electronic characteristics.
Novel Furan‐Pyrazole Molecular Hybrids as Prospective Anti‐Neuroinflammatory Agents: Design, Synthesis, and In‐Vitro Screening Thereof
Authors: Mudimela Sowjanya , Janardhanan Saravanan
Published: September 2023

Neuro‐inflammatory responses lead to various neurodegenerative disorders. A small library of 1H‐pyrazole‐1‐carbothioamidoacetamido)‐furan‐3‐carboxamide molecular hybrids were designed and subjected to molecular docking against two neuroinflammatory targets, HMGB1 (2LY4) and Box A (4QR9) proteins. The in‐silico investigations indicated notable binding of 9 c and 9 d against HMGB1(2LY4), while compounds 9 c, 9 h, and 9 g demonstrated high affinity towards HMGB1 Box A (4QR9) proteins. A total of ten compounds, which showed good binding interactions with the target proteins were selected for further synthesis and evaluated for anti‐neuroinflammatory activity. The compounds, 9 a–j were synthesized by reacting pyrazole‐carbothioamides (iii & iv) with furanyl acetamides (7a–e). FTIR, NMR, and mass spectrometric data confirmed all structures. The in‐vitro cytotoxicity was evaluated on microglial cells BV‐2, N‐9, HMO6, leukemic HAP1 and human fibroblast cells. Notable suppression of anti‐inflammatory markers TNF‐α, IL‐1β, IL‐6, and Bcl‐2 was observed by 9 a–d and 9 f. All derivatives were moderate in potency compared to reference doxorubicin and could act as novel anti‐neuroinflammatory agents. The current discoveries could provide insights for developing novel lead compounds that could target neuroinflammation and related diseases.
Reagent Engineering for Group Transfer Biocatalysis
Authors: Reed John H. , Seebeck Florian P.
Published: September 2023

Biocatalysis has become a major driver in the innovation of preparative chemistry. Enzyme discovery, engineering and computational design have matured to reliable strategies in the development of biocatalytic processes. By comparison, substrate engineering has received much less attention. In this Minireview, we highlight the idea that the design of synthetic reagents may be an equally fruitful and complementary approach to develop novel enzyme‐catalysed group transfer chemistry. This Minireview discusses key examples from the literature that illustrate how synthetic substrates can be devised to improve the efficiency, scalability and sustainability, as well as the scope of such reactions. We also provide an opinion as to how this concept might be further developed in the future, aspiring to replicate the evolutionary success story of natural group transfer reagents, such as adenosine triphosphate (ATP) and S‐adenosyl methionine (SAM).
Mechanistic Evidence of a Ni(0/II/III) Cycle for Nickel Photoredox Amide Arylation
Authors: Bradley Robert D. , McManus Brennan D. , Yam Jessalyn G. , Carta Veronica , Bahamonde Ana
Published: September 2023

This work demonstrates the dominance of a Ni(0/II/III) cycle for Ni‐photoredox amide arylation, which contrasts with other Ni‐photoredox C‐heteroatom couplings that operate via Ni(I/III) self‐sustained cycles. The kinetic data gathered when using different Ni precatalysts supports an initial Ni(0)‐mediated oxidative addition into the aryl bromide. Using NiCl2 as the precatalyst resulted in an observable induction period, which was found to arise from a photochemical activation event to generate Ni(0) and to be prolonged by unproductive comproportionation between the Ni(II) precatalyst and the in situ generated Ni(0) active species. Ligand exchange after oxidative addition yields a Ni(II) aryl amido complex, which was identified as the catalyst resting state for the reaction. Stoichiometric experiments showed that oxidation of this Ni(II) aryl amido intermediate was required to yield functionalized amide products. The kinetic data presented supports a rate‐limiting photochemically‐mediated Ni(II/III) oxidation to enable C−N reductive elimination. An alternative Ni(I/III) self‐sustained manifold was discarded based on EPR and kinetic measurements. The mechanistic insights uncovered herein will inform the community on how subtle changes in Ni‐photoredox reaction conditions may impact the reaction pathway, and have enabled us to include aryl chlorides as coupling partners and to reduce the Ni loading by 20‐fold without any reactivity loss.
The effect of structural variations of heteroleptic Cu(II) complexes of tri‐dentate unsymmetrical Schiff‐base main ligands with pyridine or bithiazole co‐ligands on molecular docking against SARS‐CoV‐2 and its Omicron variant main proteases
Authors: Ghasemi Liana , Behzad Mahdi , Abedi Anita , Khaleghian Ali
Published: September 2023

Meso‐1,2‐diphenyl‐1,2‐ethylenediamine was reacted with salicylaldehyde derivatives, copper(II) perchlorate, and pyridine to produce various four‐coordinated heteroleptic [Cu (SBn)(py)]ClO4 (n = 1–4) complexes. Ligand exchange of the monodentate pyridine with bidentate 2,2′‐dimethyl‐4,4′‐bithiazole (BTZ) produced other new series of five‐coordinated [Cu (SBna)(BTZ)]ClO4 complexes. Elemental analysis, Fourier‐transform infrared spectroscopy (FT‐IR), and ultraviolet–visible (UV–Vis) spectroscopy were used to identify the complexes. The crystal structures of 1a and 2a were also determined by single‐crystal X‐ray crystallography (SCXRC). The inhibitory potential of these complexes against SARS‐CoV‐2 and its omicron variant main proteases (PDB IDs: 6LU7 and 7TLL, respectively) was investigated by means of molecular‐docking modeling. According to the estimated free binding energy (EFBE), the order of binding energies were (3) > (3a) > (1a) > (1) > (2a) > (4a) > (4) > (2) for 6LU7 and (1a) > (3) > (1) > (4) > (2) > (4a) > (2a) > (3a) for 7TLL. The complexes (1a) for 6LU7 and (3) for 7TLL with electronegative Br substituents were at the top of the series and had the most negative ΔGbinding. The EFBE of four conventional corona‐virus medicines, that is, remdesivir, hydroxychloroquine, dexamethasone, and AstraZeneca were also obtained and compared with the synthesized complexes. The EFBE of the complexes were comparable to standard drugs.
Polymerization of isoprene, myrcene, and butadiene catalyzed by cobalt complexes supported with 2‐acetyl‐6‐iminopyridine ligand
Authors: You Jingyu , Chen Binghui , Gong Dirong
Published: September 2023

Cobalt complexes carrying 2‐acetyl‐6‐iminopyridine ligand are synthesized and characterized. Single‐crystal X‐ray diffraction reveals the cobalt ion is chelated with two nitrogen atoms and an acetyl oxygen atom additionally. A significant prolonged Co–O distance (2.3960(57) Å) is found, indicative of a labile character. Activated by diethylchloroaluminum, all complexes show high conversion rates for isoprene and myrcene polymerizations, affording cis‐1,4/3,4 regulated 1,3‐diene polymers. The polymerization of butadiene, interestingly, gives predominant cis‐1,4 selectivity (>99.2%) with moderate activity. The substituent at ortho‐position of arylimine plays a minor role in controlling activity and selectivity as well as the molecular weight of the resultant polymers. The properties of resultant poly(1,3‐diene)s are stable even in a wide range of operational conditions, such as [Al]/[Co] varied from 20 to 600, temperature spanning from 0°C to 60°C, and monomer–catalyst ratio from 1000 to 4000. These additional benefits of minimum fluctuation in catalytic performances may be suitable for industrial polymerization process.
Synthesis and characterization of polypyrrole‐fly‐ash‐adenosine composite reinforced epoxy coating for anticorrosive applications
Authors: Kharat Baburao M. , Vyavahare Siddhant A. , Shirapure Yogita , Kerosenewala Jainabh , Desai Pradnya , More Aarti P.
Published: September 2023

Polypyrrole (PPy), PPy‐fly ash, and PPy‐fly ash‐adenosine composite in an epoxy resin system were studied for potential applications in the field of corrosion protection. The composite was prepared using a simple and cost‐effective in‐situ chemical oxidative method by interfacial polymerization technique. The synthesized composites were added into the epoxy coating matrix. All the studied formulations show excellent adhesion (5B) and good chemical resistance and passed flexibility test without any crack formation. Pencil hardness increases from 2H to 4H while scratch resistance increases from 1.5 to 2 kg for both PPy‐Ash 3wt% and PPy‐Ash‐adenosine 3 wt% as compared to plain epoxy. The contact angle observed to be 80.4° for plain epoxy and with PPy‐Ash‐adenosine 5 wt% it is 98.75°. Anticorrosive properties of the coatings were evaluated using electrochemical impedance spectroscopy bode plot analysis and salt spray tests. There was an increase in impedance from 2.5 to 4.25 ohm, as the addition of PPy‐Ash‐adenosine composite. The results indicated that the composite coatings exhibited significantly higher corrosion protection properties compared to the pure epoxy coating. The enhanced corrosion protection performance of the composite coatings was attributed to the synergistic effect of PPy, fly ash, and adenosine.
Electrical Effects of Ionic Deficient Cubic Ferrite Spinels: A Case Study on MgFe2O4
Authors: Farshidfar Farshad , Oreskovic Hannah , Ryan Dominic H. , Ghandi Khashayar
Published: September 2023

Electron transport via indirect exchange interactions between octahedral sites in spinels is affected by cationic or anionic vacancies. Thus, the deviation of the electron hopping mechanism is investigated, from a constant energy barrier toward a variable range energy barrier in iron‐deficient and oxygen‐deficient cubic magnesium ferrite spinels. Variable range electron hopping activation energy at high temperatures is consistent with the modified cation–anion interactions in the distorted structure of an ionic deficient cubic magnesium ferrite spinel. For these observations, an instrumental method is developed to evaluate the electron exchange interactions and general redox kinetics on surfaces, managed by exposure to the flow of a wide variety of desired gases. The applications of this instrument are far beyond the example studies reported here.
Prostatic urethral lift for subjects in urinary retention (PULSAR): 12‐Month results of a prospective controlled trial compared with real‐world outcomes
Authors: Rochester Mark , Doherty Ruth , Page Toby , Barber Neil , Kavia Rajesh , Thiruchelvam Nikesh , Gange Steven , Mueller Thomas , Eure Gregg , Chin Peter , Kayes Oliver
Published: September 2023

Objective

To examine the safety and efficacy of prostatic urethral lift (PUL) in acute urinary retention (AUR) patients within a controlled (PULSAR) and real‐world setting (Real‐World Retrospective study).

Materials and methods

PULSAR was a 12‐month prospective study of PUL in AUR patients (n = 51) performed at six centres in the United Kingdom; enrolled BPH patients aged ≥50 years, with prostate volume of ≤100 cc. AUR was defined as being catheter dependent with at least one prior failed trial without catheter (TWOC) while on an alpha‐blocker. RWR consisted of 3226 consecutive PUL patients across 22 international sites treated between July 2017 and March 2020; 469 of whom were in urinary retention (RWRr), that is, catheter‐dependent at the time of their procedure. Symptom response, uroflow and catheter independence rates were compared between PULSAR and RWRr subjects. A logistical regression model was constructed to evaluate patient baseline and dynamic factors predicting success after the procedure.

Results

Seventy‐three percent of PULSAR subjects were catheter independent and free from surgical reintervention at 12 months post‐PUL. Success was associated with higher voiding efficiency during the perioperative period. Slightly higher catheter‐independent rates (80%) were seen in RWRr patients; variables that influenced success included age <70 years, lower baseline prostate‐specific antigen (PSA), lower baseline post‐void residual (PVR) and shorter pre‐procedural catheter duration. Logistic regression of the combined PULSAR and RWRr retention groups revealed that procedural age <70 years and higher bladder voiding efficiency (BVE) were associated with success.

Conclusions

Lower baseline PSA and PVR, younger age and shorter pre‐procedure catheter durations drove successful outcomes in AUR patients undergoing PUL. Post‐PUL voiding efficiencies may help ascertain long‐term response to treatment.
Evaluation of Cytotoxicity and Antifungal Activity of Friedelanes from Salacia elliptica Roots
Authors: Marinho Miguel Elizabeth Luciana , de Sousa Grasiely Faria , Duarte Lucienir Pains , Guerra de Aguilar Mariana , Silva Sabrina França , Ferreira Soares Daniel Crístian , Johann Susana , de Andrade Santana Luiz Felipe , Thomaz Oliveira Kamila , Montes Vidal Diogo
Published: September 2023

Plants from Salacia genus are used in traditional medicine for a wide range of diseases. Previous studies reported bioactive pentacyclic triterpenoids from S. elliptica leaves and branches. In this study, the novel pentacyclic triterpenoid 7α,15α‐dihydroxyfriedelan‐3‐one (1) was obtained from the roots of Salacia elliptica, along with seven known compounds: friedelan‐3‐one (2), friedelan‐3β‐ol (3), friedelan‐1,3‐dione (4), friedelan‐3,15‐dione (5), 15α‐hydroxyfriedelan‐3‐one (6), 15α,26‐dihydroxyfriedelan‐3‐one (7), and 26‐hydroxyfriedelan‐3,15‐dione (8). Additionally, one steroid, spinasterol (9), was also identified. The chemical structures of all compounds were established through 1H and 13C‐NMR. Compound 1 was analysed by additional 2D experiments (HMBC, HSQC, COSY, and NOESY) for complete elucidation. Furthermore, the cytotoxicity of compounds 2, 3, 6, 7 and 8 against the A549 lung cancer cells model was evaluated. The flow cytometry analysis revealed a significant cytotoxic activity similar to that exhibited by the triterpenoid lupeol. Additionally, compounds 2, 3, 6, and 7 were tested for in vitro antifungal activity against Candida, Cryptococcus and Sporothrix strains. However, all compounds showed no activity at the tested concentrations.
Significant symptom resolution of spinal lipomatosis with weight loss
Authors: Haggerty Treah , Milligan Savannah , Davisson Laura , Cavrak Megan , Imlay Riley , Sedney Cara
Published: September 2023

71‐year‐old male with epidural spinal lipomatosis and spondylolisthesis. Conservative treatment failed, and a spinal fusion and laminectomy were performed. Postoperatively, the patient reported a reduction in pain; however, the pain recurred soon after surgery. After losing 53 pounds with medical management, the patient reported a complete absence of pain. Epidural spinal lipomatosis is a rare condition characterized by the deposition and hypertrophy of adipose tissue in the spinal canal, sometimes resulting in stenosis or compression of the dural sac and nerve roots (Glob Spine J. 2018;9:658). Although several factors are considered to precipitate the disease, steroid use (J Am Acad Dermatol. 2017;76:1) and obesity (Neurosurg Focus. 2004;16:1) are considered among the most prevalent, with obesity controversially being listed under “idiopathic” causes occasionally (Glob Spine J. 2018;9:658). Weight reduction and decreased steroid use are first‐line treatments for this disorder, and usually surgery is considered only when conservative treatment is ineffective (Glob Spine J. 2018;9:658). To describe a case of treating spinal lipomatosis within an evidence‐based multidisciplinary medical weight management clinic.
Cardiovascular foreign body retrieval and its management algorithm
Authors: Salimi Javad , Rasekhi Siahkalmahalleh Mohammad , Miratashi Yazdi Seyed Amir
Published: September 2023

Key Clinical Message

Application of central venous catheters become more common however a rare complication, embolization, can occur which lead to high mortality rate. Therefore, cardiovascular foreign bodies should be immediately remove with a safe and effective method and algorithm. So, we investigate the results of cardiovascular foreign body retrieval in our center based on a designed algorithm. In this case series study, patients who had cardiovascular foreign body embolization were managed by our algorithm. Our approach was based on the time duration of foreign body embolization in cardiovascular system and also its location. If the embolization time was less than 48 h, based on the location of foreign body, insertion site would be right femoral or jugular vein. If the time of foreign body embolization was more than 48 h, echocardiography should be done to assess thrombosis around foreign body. Retrieval was done with snare technique in all patients. Over 12 patients, 9 patient had port catheter foreign body in SVC and atrium, 1 patient had port catheter in atrium, 1 patient had port catheter in pulmonary artery and 1 patient had hemodialysis catheter in inferior vena cava (IVC) and atrium. Foreign body retrieval was successful in all 11 patient. The IVC and atrium were the common site of port catheter fragments. According to our experience, we organize a useful algorithm for retrieval of cardiovascular foreign body based on time of embolization and its location.
Glass‐ceramic: Controlled crystallization of glasses obtained from biomass ash
Authors: Dias Thais Samira Souza , Leme Thariany Sanches , dos Santos Luiz Fernando , Magalhães Renata da Silva , de Almeida Santos Gleyson Tadeu , Teixeira Silvio Rainho , de Souza Agda Eunice
Published: September 2023

In this work, vitreous material was produced, using ash from burning wood in a boiler, to obtain a glass‐ceramic with the gehlenite phase. The glass obtained by melt‐quenching at 1450°C was characterized by differential scanning calorimetry and other techniques to determine the glass transition and crystallization temperatures, and crystallization kinetics were investigated using the Kissinger model. Tablets prepared with glass powder were treated at 970, 990, 1074, and 1120°C for 1 h, to obtain the glass‐ceramic material. The phase identified by X‐ray diffraction was gehlenite, with two crystalline structures coexisting in the sample. According to the kinetics study, the phase with a tetragonal structure had a lower crystallization activation energy, and therefore, it may have been the first phase to be formed in the material. Scanning electron microscopy images revealed crystalline regions within the glassy matrix with a lamellar microstructure, with no geometrically defined morphology and no morphological or microstructural distinction, suggesting that both gehlenite phases coexist without apparent distinctions in the glass‐ceramic. The best results for water absorption, apparent porosity, and apparent density were for the glass‐ceramic sample sintered at 990°C, whose values were respectively 0.1, 0.29, and 2.89 g/cm3.
Influence of oral microbiome on longitudinal patterns of oral mucositis severity in patients with squamous cell carcinoma of the head and neck
Authors: Zhang Liangliang , San Valentin Erin Marie D. , John Teny M. , Jenq Robert R. , Do Kim‐Anh , Hanna Ehab Y. , Peterson Christine B. , Reyes‐Gibby Cielito C.
Published: September 2023

Background

This study investigated the influence of oral microbial features on the trajectory of oral mucositis (OM) in patients with squamous cell carcinoma of the head and neck.

Methods

OM severity was assessed and buccal swabs were collected at baseline, at the initiation of cancer treatment, weekly during cancer treatment, at the termination of cancer treatment, and after cancer treatment termination. The oral microbiome was characterized via the 16S ribosomal RNA V4 region with the Illumina platform. Latent class mixed‐model analysis was used to group individuals with similar trajectories of OM severity. Locally estimated scatterplot smoothing was used to fit an average trend within each group and to assess the association between the longitudinal OM scores and longitudinal microbial abundances.

Results

Four latent groups (LGs) with differing patterns of OM severity were identified for 142 subjects. LG1 has an early onset of high OM scores. LGs 2 and 3 begin with relatively low OM scores until the eighth and 11th week, respectively. LG4 has generally flat OM scores. These LGs did not vary by treatment or clinical or demographic variables. Correlation analysis showed that the abundances of Bacteroidota, Proteobacteria, Bacteroidia, Gammaproteobacteria, Enterobacterales, Bacteroidales, Aerococcaceae, Prevotellaceae, Abiotrophia, and Prevotella_7 were positively correlated with OM severity across the four LGs. Negative correlation was observed with OM severity for a few microbial features: Abiotrophia and Aerococcaceae for LGs 2 and 3; Gammaproteobacteria and Proteobacteria for LGs 2, 3, and 4; and Enterobacterales for LGs 2 and 4.

Conclusions

These findings suggest the potential to personalize treatment for OM.

Plain Language Summary

Oral mucositis (OM) is a common and debilitating after effect for patients treated for squamous cell carcinoma of the head and neck.

Trends in the abundance of specific microbial features may be associated with patterns of OM severity over time.

Our findings suggest the potential to personalize treatment plans for OM via tailored microbiome interventions.
An aneurysm‐specific preconditioning technique for the acceleration of Newton‐Krylov method with application in the simulation of blood flows
Authors: Liu Yingzhi , Qi Fenfen , Cai Xiao‐Chuan
Published: September 2023

In this paper, we develop an algorithm to simulate blood flows in aneurysmal arteries and focus on the construction of robust and efficient multilevel preconditioners to speed up the convergence of both linear and nonlinear solvers. The work is motivated by the observation that in the local aneurysmal region, the flow is often quite complicated with one or more vortices, but in the healthy section of the artery, the principal component of blood flows along the centerline of the artery. Based on this observation, we introduce a novel two‐level additive Schwarz method with a mixed‐dimensional coarse preconditioner. The key components of the preconditioner include (1) a three‐dimensional coarse preconditioner covering the aneurysm; (2) a one‐dimensional coarse preconditioner covering the central line of the healthy section of the artery; (3) a collection of three‐dimensional overlapping subdomain preconditioners covering the fine meshes of the entire artery; (4) extension/restriction operators constructed by radial basis functions. The blood flow is modeled by the unsteady incompressible Navier–Stokes equations with resistance outflow boundary conditions discretized by a stabilized finite element method on fully unstructured meshes and the second‐order backward differentiation formula in time. The resulting large nonlinear algebraic systems are solved by a Newton‐Krylov algorithm accelerated by the new preconditioner in two ways: (1) the initial guess of Newton is obtained by solving a linear system defined by the coarse preconditioner; (2) the Krylov solver of the Jacobian system is preconditioned by the new preconditioner. Numerical experiments indicate that the proposed preconditioner is highly effective and robust for complex flows in a patient‐specific artery with aneurysm, and it significantly reduces the numbers of linear and nonlinear iterations.
Transthyretin promotes the invasion of combined hepatocellular cholangiocarcinoma by tumor‐associated macrophages
Authors: Ke Kun , Lin Junqing , Huang Ning , Yan Leye , Liao Rihua , Yang Weizhu
Published: September 2023

Background

Patients with combined hepatocellular‐cholangiocarcinoma (cHCC‐CCA) have limited treatment options and poor prognosis. Tumor‐associated macrophages (TAMs) are the most abundant infiltrating immune cells in the tumor microenvironment and promote tumor stemness, proliferation, invasion and metastasis. Evidence suggested that transthyretin (TTR) influenced the prolifetation and invasion functions of different tumors and play an essential role in the tumor microenvironment.

Aims

To investigate the involvement of TTR in TAMs affecting the invasion of cHCC‐CCA.

Methods and Results

Data sets obtained from the Gene Expression Omnibus database were integrated. Differentially expressed genes (DEGs) were obtained using R software, and modules associated with cHCC‐CCA were screened by weighted gene co‐expression network analysis (WGCNA). Human THP‐1 cells were induced to differentiate into macrophages and then co‐cultured with HCCC9810 cells and tumor necrosis factor‐α (TNF‐α) to simulate the inflammatory microenvironment of cHCC‐CAA. In addition, small interfering RNA against TTR was transfected into HCCC9810 cells, and recombinant TTR and ERK and AKT‐specific inhibitors were added to HCCC9810 cells, respectively; after that, the levels of NF‐κB protein and phosphorylated ERK and AKT were measured. The invasive abilities of HCCC9810 cells were also tested.

One hundred forty‐five DEGs were associated with cHCC‐CCA, of which TTR was up‐regulated. Turquoise modules containing TTR in WGCNA were most significantly associated with cHCC‐CCA. TTR was highly expressed in HCCC9810 compared to Huh‐28. HCCC9810 showed enhanced invasive capacity after co‐culture with TNF‐α + macrophages (p < .05). After interfering with TTR, the invasive ability of HCCC9810 was diminished, accompanied by decreased expression of NF‐κB, p‐ERK1/2, and p‐AKT (p < .05). After treating HCCC9810 with ERK and AKT‐specific inhibitors, the invasive ability of HCCC9810 was diminished, accompanied by decreased expression of NF‐κB and TTR (p < .05).

Conclusion

TTR can promote the invasive ability of cHCC‐CCA by regulating AKT/NF‐κB and ERK pathways with the assistance of TAMs.
Chitosan‐Derived N‐Doped Carbon for Light‐Mediated Carbon Dioxide Fixation into Epoxides
Authors: Paliwal Khushboo S. , Sarkar Debashrita , Mitra Antarip , Mahalingam Venkataramanan
Published: September 2023

A series of calcined Chitosan (CS) photothermal catalysts are prepared by heating the biopolymer at different temperatures. The photothermal conversion (light to heat) ability of these calcined CS materials is evaluated by measuring the temperature change with respect to time and lamp power. The material prepared at 300 °C (Cal‐CS‐300) shows excellent photothermal conversion ability which is explored for the CO2 cycloaddition reaction with epoxides to produce cyclic carbonates under mild reaction parameters (1 atm CO2 pressure, 25 °C). The study reveals the importance of defects present in the material on both photothermal conversion and CO2 fixation efficiency. Under optimized reaction conditions, Cal‐CS‐300 is able to convert a range of epoxides into their respective cyclic carbonates (>97 % selectivity) and retains its catalytic activity (~86 %) for 5 cycles of catalysis without losing its chemical integrity. The use of ubiquitously available biopolymer together with light makes this approach sustainable for preparing value added chemicals.
RDMSR: A reactive defragmentation with minimum spectrum route strategy for mixed grid optical network
Authors: Yadav Dharmendra Singh
Published: September 2023

In this paper, we propose a reactive defragmentation with minimum spectrum route (RDMSR) for the problem of route, spectrum, and modulation‐format allocation (RSMA) in mixed grid optical network. In mixed grid network, spectrum redundancy and its assignment problem increase due to the spectrum continuity and contiguity constrains. In the proposed RDMSR strategy, process of defragmentation initiates after the termination of the existing connections. In addition, the route that needs minimum spectrum is given priority over the other available routes. The performance of the proposed strategy is compared with the two existing strategies: shortest path first (SPF) and mixed grid aware dynamic resources allocation (MDRA). Simulations are performed on NSFNET and ARPANET topologies. The existing and proposed strategies are evaluated on the metrics of bandwidth blocking probability (BBP), network capacity (NC), and average hops (AH) at three different combinations of the network traffic. Results show the proposed strategy outperforms than the other existing state of art strategies.
Detailed fine needle aspiration cytopathology findings of noninvasive follicular thyroid neoplasm with papillary‐like nuclear features with nuclear grading correlated to that of biopsy and Bethesda category and systematic review
Authors: Kaçar Özkara Sevgiye , Turan Gupse
Published: September 2023

Background

Noninvasive follicular thyroid neoplasm with papillary‐like nuclear features (NIFTP) poses diagnostic challenge in fine needle aspiration cytopathology (FNAC). We aimed first to document our FNAC Bethesda categories (BCs) for all of our NIFTPs and compare our findings with those in the literature with series containing at least 14 cases each.

Methods

Cases with final histopathological diagnoses of NIFTP and their preoperative FNAC were retrieved from 2006 to 2022 and our cytopathological BCs were documented. Then the slides were re‐reviewed in a blinded manner for detailed classification and the results of both the BCs and blinded reclassification were compared with series in the literature for both BCs and detailed cytopathological review of the cases.

Results

Thyroid FNACs of 43 out of 86 patients with final NIFTP diagnoses were obtained. Females composed 72.1% (F/M: 31/12); mean age and mean tumor diameter was 47.6 (19–72 years) and 23.4 mm (7–60 mm), respectively. Totally 81.4% (35/43) were classified in the “indeterminate” diagnostic categories; namely 44.2% (19/43) were reported as atypia of undetermined significance (AUS; BC III), 20.9% (9/43) were follicular neoplasm (FN; BC IV), and 16.3% (7/43) were suspicious for malignancy (SM; BC V). No patient was diagnosed as positive for malignancy (BC VI), preoperatively.

Detailed cytomorphologic reevaluation revealed heterogeneous cytopathologic findings and nuclear grade (especially nuclear enlargement, membrane irregularity and elongation) significantly increased with respect to BCs. Systematic review confirmed extremely heterogeneous cytomorphologic nature of NIFTP.

Conclusions

NIFTPs were categorized most frequently as AUS, followed by FN and SM on FNAC. Our re‐review were not able to specify features solely unique to NIFTP alone but may distinguish these cases from classic papillary thyroid carcinoma.
Vertebral pattern and morphology is determined during embryonic segmentation
Authors: Serra Kevin M. , Vyzas Christina , Shehreen Sarah , Chipendo Iris , Clifford Katherine M. , Youngstrom Daniel W. , Devoto Stephen H.
Published: September 2023

Background

The segmented nature of the adult vertebral column is based on segmentation of the paraxial mesoderm during early embryogenesis. Disruptions to embryonic segmentation, whether caused by genetic lesions or environmental stress, result in adult vertebral pathologies. However, the mechanisms linking embryonic segmentation and the details of adult vertebral morphology are poorly understood.

Results

We induced border defects using two approaches in zebrafish: heat stress and misregulation of embryonic segmentation genes tbx6, mesp‐ba, and ripply1. We assayed vertebral length, regularity, and polarity using microscopic and radiological imaging. In population studies, we find a correlation between specific embryonic border defects and specific vertebral defects, and within individual fish, we trace specific adult vertebral defects to specific embryonic border defects.

Conclusions

Our data reveal that transient disruptions of embryonic segment border formation led to significant vertebral anomalies that persist through adulthood. The spacing of embryonic borders controls the length of the vertebra. The positions of embryonic borders control the positions of ribs and arches. Embryonic borders underlie fusions and divisions between adjacent spines and ribs. These data suggest that segment borders have a dominant role in vertebral development.
Multi‐organ phenotypes in mice lacking latent TGFβ binding protein 2 (LTBP2)
Authors: Bodmer Nicholas K. , Knutsen Russell H. , Roth Robyn A. , Castile Ryan M. , Brodt Michael D. , Gierasch Carrie M. , Broekelmann Thomas J. , Gibson Mark A. , Haspel Jeffrey A. , Lake Spencer P. , Koenitzer Jeffrey R. , Brody Steven L. , Silva Matthew J. , Mecham Robert P. , Ornitz David M.
Published: September 2023

Background

Latent TGFβ binding protein‐2 (LTBP2) is a fibrillin 1 binding component of the microfibril. LTBP2 is the only LTBP protein that does not bind any isoforms of TGFβ, although it may interfere with the function of other LTBPs or interact with other signaling pathways.

Results

Here, we investigate mice lacking Ltbp2 (Ltbp2−/−) and identify multiple phenotypes that impact bodyweight and fat mass, and affect bone and skin development. The alterations in skin and bone development are particularly noteworthy since the strength of these tissues is differentially affected by loss of Ltbp2. Interestingly, some tissues that express high levels of Ltbp2, such as the aorta and lung, do not have a developmental or homeostatic phenotype.

Conclusions

Analysis of these mice show that LTBP2 has complex effects on development through direct effects on the extracellular matrix (ECM) or on signaling pathways that are known to regulate the ECM.
Substituting space for time: Bird responses to forest loss in space provide a general picture of responses over time
Authors: Attinello Kayla , Fahrig Lenore , Smith Adam C. , Wilson Scott
Published: September 2023

The practice of space‐for‐time substitution assumes that the responses of species or communities to land‐use change over space represents how they will respond to that same change over time. Space‐for‐time substitution is commonly used in both ecology and conservation, but whether the assumption produces reliable insights remains inconclusive. Here, we tested space‐for‐time substitution using data from the North American Breeding Bird Survey (BBS) and Global Forest Change (GFC) to compare the effects of landscape‐scale forest cover on bird richness and abundance over time and space, for 25 space–time comparisons. Each comparison consisted of a landscape that experienced at least 20% forest loss over 19 years (temporal site) and a set of 15–19 landscapes (spatial sites) that represented the same forest cover gradient over space in 2019 as experienced over time in their corresponding temporal site. Across the 25 comparisons, the observed responses of forest and open‐habitat birds to forest cover over time generally aligned with their responses to forest cover over space, but with comparatively higher variability in the magnitude and direction of effect across the 25 temporal slopes than across the 25 spatial slopes. On average, the mean differences between the spatial and temporal slopes across the 25 space–time comparisons frequently overlapped with zero, suggesting that the spatial slopes are generally informative of the temporal slopes. However, we observed high variability around these mean differences, indicating that a single spatial slope is not strongly predictive of its corresponding temporal slope. We suggest that our results may be explained by annual variability in other relevant environmental factors that combine to produce complex effects on population abundances over time that are not easily captured by snapshots in space. While not being a 1:1 proxy, measuring bird responses to changes in habitat amount in space provides an idea on how birds might be expected to eventually equilibrate to similar changes in habitat amount over time. Further, analyses such as this could be potentially used to screen for cases of regional space–time mismatches where population‐limiting factors other than habitat could be playing a more important role in the population trends observed there.
BEMS architecture and service modules for realizing sophisticated algorithms
Authors: Mega Toshihiro , Murakami Koudai , Kushiro Noriyuki
Published: September 2023

There is a growing interest to introduce energy‐saving algorithms which balance energy efficiency with residents’ comfortability into a building energy management system (BEMS). However, the following issues hinder penetration of the energy‐saving algorithms into markets: difficulties both in embedding the algorithms into the BEMS, and in turning the algorithms suitably to fit varieties of installed equipment in each building. In this paper, A BEMS on micro‐service architecture, and software service modules for the BEMS, were proposed. The micro‐services architecture improves flexibility to introduce newly developed energy‐saving algorithms into the BEMS and software service modules manipulate whole roles (modeling, planning, doing, and action) required for tuning the algorithms on‐line to fit the algorithms to each building. Each software service module was implemented and integrated as elements of BEMS on micro‐service architecture. The BEMS on micro‐service architecture was applied to an actual building for evaluation, and its availability was confirmed through the field test.
Environmental context, parameter sensitivity, and structural sensitivity impact predictions of annual‐plant coexistence
Authors: Cervantes‐Loreto Alba , Pastore Abigail I. , Brown Christopher R. P. , Marraffini Michelle L. , Aldebert Clement , Mayfield Margaret M. , Stouffer Daniel B.
Published: September 2023

Predicting the outcome of interactions between species is central to our current understanding of diversity maintenance. However, we have limited information about the robustness of many model‐based predictions of species coexistence. This limitation is partly because several sources of uncertainty are often ignored when making predictions. Here, we introduce a framework to simultaneously explore how different mathematical models, different environmental contexts, and parameter uncertainty impact the probability of predicting species coexistence. Using a set of pairwise competition experiments on annual plants, we provide direct evidence that subtle differences between models lead to contrasting predictions of both coexistence and competitive exclusion. We also show that the effects of environmental context dependency and parameter uncertainty on predictions of species coexistence are not independent of the model used to describe population dynamics. Our work suggests that predictions of species coexistence and extrapolations thereof may be particularly vulnerable to these underappreciated founts of uncertainty.
Prevalence of anti‐beta‐1 antibody 6 months after hospitalization for acute heart failure predicts adverse outcome
Authors: Morbach Caroline , Beyersdorf Niklas , Moser Nicola , Pelin Dora , Afshar Boshra , Ramos Gustavo , Kerkau Thomas , Kaiser Elisa , Lamers Janna , Pätkau Jannika , Sahiti Floran , Albert Judith , Güder Gülmisal , Ertl Georg , Angermann Christiane E. , Frantz Stefan , Hofmann Ulrich , Jahns Roland , Jahns Valerie , Störk Stefan
Published: September 2023

Aims

Agonistic antibodies against neurohumoral receptors can induce cardio‐noxious effects by altering the baseline receptor activity. To estimate the prevalence of autoantibodies directed against the beta‐1 receptor (b1‐AAB) in patients admitted to the hospital for acute heart failure (HF) at (i) baseline and (ii) after 6 months of follow‐up (F6) and (iii) after another 12 months of follow‐up (i.e. 18 months after index hospitalization), to estimate their prognostic impact on clinical outcome (death or first hospitalization for HF).

Methods and results

In 47 patients, b1‐AAB were serially determined in serum samples collected at index hospitalization and at 6 months of follow‐up (F6) with a flow cytometry‐based assay: median age 71 years (quartiles 60, 80), 23 (49%) women, 24 (51%) HF with preserved ejection fraction. Beta1‐AAB were detected in three subjects at index hospitalization (6%), and in eight subjects at F6 (17%). There were no differences apparent between patients with and without b1‐AAB at F6 with regard to age, sex, type, duration, or main cause of HF. During the 12 month period following F6 (i.e. up to month 18), eight events occurred. Event‐free survival was associated with prevalence of b1‐AAB at F6. Compared with patients without b1‐AAB at F6, age‐adjusted Cox regression indicated a higher event risk in patients harbouring b1‐AAB, with a hazard ratio of 8.96 (95% confidence interval 1.81–44.50, P = 0.007).

Conclusions

Our results suggest a possible adverse prognostic relevance of b1‐AAB in patients with acute HF, but this observation needs to be confirmed in larger patient collectives.
Sensitive electrochemical biosensor for bisphenol A based on laccase immobilized on polypyrrole‐3‐carboxylic/Sb2O5/reduced graphene oxide hybrid nanomaterial
Authors: Cincotto F. H. , Oliveira Fernandes J. , Travassos A. C. O. , Tiba D. Y. , Medeiros A. M. A. B. , Santelli R. E. , Sánchez A. , Villalonga R. , Pingarón J. M. , Canevari T. C.
Published: September 2023

An electrochemical biosensor for the bisphenol A determination was constructed onto a glassy carbon electrode modified with a hybrid nanostructure based on polypyrrole‐3‐carboxylic acid/Sb2O5/reduced graphene oxide and laccase enzyme. The hybrid nanostructure was characterized by X‐ray photoelectron spectroscopy (XPS), HR‐TEM, SEM microscopy, and electrochemical techniques. The biosensor displayed excellent response for bisphenol A determinations by differential pulse voltammetry, showing a theoretical detection limit of 9.9 nmol L−1 in the linear range of 0.1–1.0 μmol L−1. The biosensor demonstrated excellent selectivity in the determinations of bisphenol A in tap water without significant interference from other species, such as 17β‐estradiol, Estriol, Progesterone, Catechol, Hydroquinone, Ascorbic acid, and Dopamine. The biosensor also has presented an excellent performance in bisphenol A determinations in water, with recovery tax ranging from 99.6 to 101 %. Therefore, it can be used satisfactorily to detect bisphenol A in real samples.