bluuebunny/crossref_metadata_2025 huggingface dataset:
Rubber Compounding
Authors: Rodgers Brendan , Tallury Syamal S. , Klingensmith William
Published: March 2023

Rubber compounding is the complex, multidisciplinary science of selecting and blending the appropriate combination of elastomers and other ingredients to meet the performance, manufacturing, environmental, and cost requirements for rubber goods made and used in commerce. There is a wide variety of elastomers and ingredients that are available in making rubber goods, which include all of the following types of products: tires, innertubes, retreaded tires, footwear, conveyor belts, rubber rolls, hoses, belts, weatherstripping, O‐rings, seals, diaphragms, tubing, rubber and latex gloves, ball bladders, medical devices, bumpers, and numerous other products. This is a review of the basic materials used in designing many common types of rubber products. The development of the combination of materials contained in a usable rubber compound involves many disciplines that include chemistry, physics, mathematics, and polymer science. In many cases, classical scientific methods can predict the interaction effects and estimate the properties expected from rubber compounds. Looking to the future new technology materials will certainly have an impact and could focus on three topics, environmental factors, recycling, and sustainability which has attracted much recent attention. In terms of environmental considerations, the use of current materials in new applications will also have a potentially greater impact on end‐product performance. Finally, environmental concerns are creating an interest in utilizing both postindustrial and postconsumer recycled rubber products into new rubber compounds and thus help address Sustainability requirements.
Reproducibility of the principal component analysis (PCA)‐based data‐driven respiratory gating on texture features in non‑small cell lung cancer patients with 18F‑FDG PET/CT
Authors: Fukai Shohei , Daisaki Hiromitsu , Ishiyama Mitsutomi , Shimada Naoki , Umeda Takuro , Motegi Kazuki , Ito Ryoma , Terauchi Takashi
Published: March 2023

Objective

Texture analysis is one of the lung cancer countermeasures in the field of radiomics. Even though image quality affects texture features, the reproducibility of principal component analysis (PCA)‐based data‑driven respiratory gating (DDG) on texture features remains poorly understood. Hence, this study aimed to clarify the reproducibility of PCA‐based DDG on texture features in non‑small cell lung cancer (NSCLC) patients with 18F‐Fluorodeoxyglucose (18F‐FDG) Positron emission tomography/computed tomography (PET/CT).

Methods

Twenty patients with NSCLC who underwent 18F‐FDG PET/CT in routine clinical practice were retrospectively analyzed. Each patient's PET data were reconstructed in two PET groups of no gating (NG‐PET) and PCA‐based DDG gating (DDG‐PET). Forty‐six image features were analyzed using LIFEx software. Reproducibility was evaluated using Lin's concordance correlation coefficient () and percentage difference (%Diff). Non‐reproducibility was defined as having unacceptable strength  < 0.8) and a %Diff of >10%. NG‐PET and DDG‐PET were compared using the Wilcoxon signed‐rank test.

Results

A total of 3/46 (6.5%) image features had unacceptable strength, and 9/46 (19.6%) image features had a %Diff of >10%. Significant differences between the NG‐PET and DDG‐PET groups were confirmed in only 4/46 (8.7%) of the high %Diff image features.

Conclusion

Although the DDG application affected several texture features, most image features had adequate reproducibility. PCA‐based DDG‐PET can be routinely used as interchangeable images for texture feature extraction from NSCLC patients.
Attack‐resilient pitch angle control for variable‐speed wind turbine systems under cyber threats
Authors: Mazare Mahmood , Taghizadeh Mostafa , Asharioun Hadi
Published: March 2023

Sustainable energy has captured special attention, particularly wind energy which makes wind farms as an attractive target for cyber threats specifically those impinging network cyber subsystems and control protocols. Given the significance of such issue, this article presents a novel anomaly‐based resilient pitch angle control methodology by incorporating fixed‐time high‐order sliding mode observer and adaptive sliding‐based controller. The main objective is to supply the required power through adjusting the pitch angle under cyber threat and exogenous disturbance. Residual has been evaluated using the output of the high‐order observer in order to detect the cyber‐attacks. Once the anomaly detector detects the cyber‐attack, its detrimental effects are compensated through the proposed adaptive resilient control framework. The finite‐time stability analysis of the closed‐loop system is performed through Lyapunov theory. Comprehensive studies are performed on a WindPact 1.5 MW wind turbine system, and validation results verify the effectiveness and resiliency of the proposed resilient control strategy in nullifying the detrimental network and physical effects of cyber‐attacks.
Crystal Growth Regulation of α‐FAPbI3 Perovskite Films for High‐Efficiency Solar Cells with Long‐Term Stability
Authors: Wang Shiheng , Luo Huaiqing , Gu Zhenkun , Zhao Rudai , Guo Lutong , Wang Na , Lou Yunjie , Xu Qun , Peng Shou , Zhang Yiqiang , Song Yanlin
Published: March 2023

The two‐step sequentially deposition strategy has been widely used to produce high‐performance FAPbI3‐based solar cells. However, due to the rapid reaction between PbI2 and FAI, a dense perovskite film forms on top of the PbI2 layer immediately and blocks the FAI diffusion into the bottom of the PbI2 film for a complete reaction, which results in a low‐efficiency and limited reproducibility of perovskite solar cells (PSCs). Here, high‐quality α‐FAPbI3 perovskite films by crystal growth regulation with 4‐fluorobenzamide additives is fabricated. The additives can interact with FAI to suppress the fast reaction between the FAI and PbI2 and effectively passivate the under‐coordinated Pb2+ or I‐ defects. As a result, α‐FAPbI3 perovskite films with low trap density and large grain size are prepared. The modified PSCs present a high‐power conversion efficiency of 24.08%, maintaining 90% of their initial efficiency after 1400 h in high humidity. This study provides an efficient strategy of synergistic crystallization and passivation to form high‐quality α‐FAPbI3 films for high‐performance PSCs.
Stacking Faults Inducing Oxygen Anion Activities in Li2MnO3
Authors: Wang Boya , Zhuo Zengqing , Li Haifeng , Liu Shiqi , Zhao Shu , Zhang Xu , Liu Jue , Xiao Dongdong , Yang Wanli , Yu Haijun
Published: March 2023

Controllable anionic redox for a transformational increase in the energy density is the pursuit of next generation Li‐ion battery cathode materials. Its activation mechanism is coupled with the local coordination environment around O, which posts experimental challenges for control. Here, the tuning capability of anionic redox is shown by varying O local environment via experimentally controlling the density of stacking faults in Li2MnO3, the parent compound of Li‐rich oxides. By combining computational analysis and spectroscopic study, it is quantitatively revealed that more stacking faults can trigger smaller LiOLi bond angles and larger LiO bond distance in local Li‐rich environments and subsequently activate oxygen redox reactivity, which in turn enhances the reactivity of Mn upon the following reduction process. This study highlights the critical role of local structure environment in tuning the anionic reactivity, which provides guidance in designing high‐capacity layered cathodes by appropriately adjusting stacking faults.
RAINBOW Organic Solar Cells: Implementing Spectral Splitting in Lateral Multi‐Junction Architectures
Authors: Gibert‐Roca Martí , Casademont‐Viñas Miquel , Liu Quan , Vandewal Koen , Goñi Alejandro R. , Campoy‐Quiles Mariano
Published: March 2023

While multi‐junction geometries have the potential to boost the efficiency of organic solar cells, the experimental gains yet obtained are still very modest. This work proposes an alternative spectral splitting device concept in which various individual semiconducting junctions with cascading bandgaps are laid side by side, thus the name RAINBOW. Each lateral sub‐cell receives a fraction of the spectrum that closely matches the main absorption band of the given semiconductor. Here, simulations are used to identify the important material and device properties of each RAINBOW sub‐cell. Using the resulting design rules, three systems are selected, with narrow, medium, and wide effective bandgaps, and their potential as sub‐cells in this geometry is experimentally investigated. With the aid of a custom‐built setup that generates spectrally spread sunlight on demand, the simulations are experimentally validated, showing that this geometry can lead to a reduction in thermalization losses and an improvement in light harvesting, which results in a relative improvement in efficiency of 46.6% with respect to the best sub‐cell. Finally, a working proof‐of‐concept monolithic device consisting of two sub‐cells deposited from solution on the same substrate is fabricated, thus demonstrating the feasibility and the potential of the RAINBOW solar cell concept.
Bifunctional Gas Diffusion Electrode Enables In Situ Separation and Conversion of CO2 to Ethylene from Dilute Stream
Authors: Nabil Shariful Kibria , Roy Soumyabrata , Algozeeb Wala Ali , Al‐Attas Tareq , Bari Md Abdullah Al , Zeraati Ali Shayesteh , Kannimuthu Karthick , Demingos Pedro Guerra , Rao Adwitiya , Tran Thien N. , Wu Xiaowei , Bollini Praveen , Lin Haiqing , Singh Chandra Veer , Tour James M. , Ajayan Pulickel M. , Kibria Md Golam
Published: March 2023

The requirement of concentrated carbon dioxide (CO2) feedstock significantly limits the economic feasibility of electrochemical CO2 reduction (eCO2R) which often involves multiple intermediate processes, including CO2 capture, energy‐intensive regeneration, compression, and transportation. Herein, a bifunctional gas diffusion electrode (BGDE) for separation and eCO2R from a low‐concentration CO2 stream is reported. The BGDE is demonstrated for the selective production of ethylene (C2H4) by combining high‐density‐polyethylene‐derived porous carbon (HPC) as a physisorbent with polycrystalline copper as a conversion catalyst. The BGDE shows substantial tolerance to 10 vol% CO2 exhibiting a Faradaic efficiency of ≈45% toward C2H4 at a current density of 80 mA cm−2, outperforming previous reports that utilized such partial pressure (PCO2 = 0.1 atm and above) and unaltered polycrystalline copper. Molecular dynamics simulation and mixed gas permeability assessment reveal that such selective performance is ensured by high CO2 uptake of the microporous HPC as well as continuous desorption owing to the molecular diffusion and concentration gradient created by the binary flow of CO2 and nitrogen (CO2|N2) within the sorbent boundary. Based on detailed techno‐economic analysis, it is concluded that this in situ process can be economically compelling by precluding the C2H4 production cost associated with the energy‐intensive intermediate steps of the conventional decoupled process.
Stress‐Free Detachment of Flexible Substrate from Glass Carrier Using CO2 Point Laser for Large‐Area Applications
Authors: Park Hyuk , Seong Suwon , Park Seongmin , Seo Taewon , Chung Yoonyoung
Published: March 2023

A novel detachment method is presented for flexible substrates from glass carrier wafers using a CO2 point laser. In a conventional laser lift‐off process, laser‐induced illumination and thermal stress degrade device performance. In this approach, a point laser is applied on the edge of the flexible substrate, where electrical components do not exist, and thus, no performance degradation occurs during the laser process. In addition, the carrier surface properties are modified to control the adhesion force between the flexible substrate and the glass carrier. A spin‐on‐dielectric layer (SOD) is utilized, and Ar ion bombardment is performed on SOD. The point laser detachment method is demonstrated in flexible thin‐film transistors, and no change is observed in the electrical characteristics before and after detachment from the carrier wafer.
Liquid‐Metal‐Based Stretchable Triboelectric Nanogenerators for Flowing‐Liquid‐Based Energy Harvesting and Self‐Powered Sensor Applications
Authors: Munirathinam Karthikeyan , Prasad Gajula , Kim Dong Su , Park Jongsung , Lee Dong–Weon
Published: March 2023

In this paper, a liquid‐metal‐based triboelectric nanogenerator (LM‐TENG) is proposed for harvesting energy from flowing water and self‐powered flow sensor applications. The proposed LM‐TENG mainly consists of a Galinstan working electrode that is encapsulated in a polydimethylsiloxane friction layer. The triboelectric performance of the LM‐TENG is optimized as a function of flow rate and frictional layer thickness. The output performance of the optimized LM‐TENG (6.2 V and 3.6 µA) is superior to that of the copper‐electrode‐based TENG (C‐TENG, 2.4 V and 0.8 µA) at the flow rate of 2.5 L min−1. This is because the stretchability of the optimized LM‐TENG is three times higher than that of the C‐TENG, which increases the contact area and enhances the output performance. The optimized LM‐TENG is successfully demonstrated as a self‐powered flow sensor for remote monitoring of water flow in pipelines. In addition, the LM‐TENG is a capable of powering more than 30 LEDs and directly powering low‐power electronics (LCDs).
Rechargeable Sodium Solid‐State Battery Enabled by In Situ Formed Na–K Interphase
Authors: Ni Qing , Xiong Yongnan , Sun Zheng , Sun Chen , Li Yang , Yuan Xuanyi , Jin Haibo , Zhao Yongjie
Published: March 2023

Solid‐state metal batteries have displayed great advantages in the domain of electrochemical energy storage owing to their remarkably improved energy density and safety. However, the practical application of solid‐state batteries (SSBs) is still greatly impeded by unfavorable interface stability and terrible low temperature performance. In this work, a local targeting anchor strategy is developed to realize an impressively long cycling life for a NASICON‐based solid‐state sodium metal battery at 0 °C. With the electrochemical migration of K+ from the cathode side to the anode side, a spontaneous generated liquid Na–K interphase can stabilize the ceramic electrolyte/metallic Na anode interface, and address the issues of sluggish kinetics at the interface together with metal dendrite deposition. In addition, the capability of K+ conduction in NASICON is also theoretically and experimentally validated. Of particular note, a K2MnFe(CN)6 cathode paired with a Na3Zr2Si2PO12 ceramic electrolyte and metallic Na anode, enable the long‐term cycling and excellent rate capability of all‐solid‐state sodium batteries at 0 °C. Without the purposely designed matrix host for a liquid Na–K interphase, this work opens up a new route for the design of high energy density SSBs.
Restrictive spirometry pattern among construction trade workers
Authors: Hines Stella E. , Dement John , Cloeren Marianne , Cranford Kim , Quinn Patricia S. , Ringen Knut
Published: March 2023

Background

Spirometry‐based studies of occupational lung disease have mostly focused on obstructive or mixed obstructive/restrictive outcomes. We wanted to determine if restrictive spirometry pattern (RSP) is associated with occupation and increased mortality.

Methods

Study participants included 18,145 workers with demographic and smoking data and repeatable spirometry. The mortality analysis cohort included 15,445 workers with known vital status and cause of death through December 31, 2016. Stratified analyses explored RSP prevalence by demographic and clinical variables and trade. Log‐binomial regression models explored RSP risk factors while controlling for important confounders such as smoking, obesity, and comorbidities. Cox regression models explored mortality risk by spirometry category.

Results

Prevalence of RSP was very high (28.6%). Mortality hazard ratios for RSP were 1.50 for all causes, 1.86 for cardiovascular diseases, 2.31 for respiratory diseases, and 1.66 for lung cancer. All construction trades except painters, machinists, and roofers had significantly elevated risk for RSP compared to our internal reference group. RSP was significantly associated with both parenchymal and pleural changes seen by chest X‐ray.

Conclusions

Construction trade workers are at significantly increased risk for RSP independent of obesity. Individuals with RSP are at increased risk for all‐cause mortality as well as mortality attributable to respiratory diseases, cardiovascular diseases, and lung cancer. RSP deserves greater attention in occupational medicine and epidemiology.
De novo triplication at 1p36.23p36.22 further refines the dosage sensitive region of overlap in Setleis syndrome (focal facial dermal dysplasia type III)
Authors: Oh Rachel Youjin , Chun Kathy , Kowalski Paul E. , Chitayat David
Published: March 2023

Setleis syndrome (SS), or focal facial dermal dysplasia type III (FFDD3, MIM #227260), is an autosomal recessive condition caused by biallelic loss‐of‐function variants in TWIST2. It is characterized by bitemporal atrophic skin lesions and distinctive facial features. Individuals with de novo or inherited duplication or triplication of the chromosomal region 1p36.22p36.21 have also been reported to have the SS phenotype with additional neurodevelopmental challenges (rarely seen in individuals with TWIST2 mutations) and variable expressivity and penetrance. Triplication of this region is also associated with more severe manifestations compared to a duplication. We report a 2‐year‐old female patient with features of SS associated with a de novo 3.603 Mb triplication at 1p36.23p36.22 identified on postnatal microarray analysis. Her triplication shares a 281.263 kb overlap with gains at 1p36.22, reported by previous groups, delineating the shortest region of overlap (SRO) to date. This SRO involves 10 RefSeq and 4 OMIM morbid map genes and highlights the candidate dosage‐sensitive element(s) underlying the cardinal features of SS phenotype in individuals with gains at 1p36.
Exome‐wide assessment of isolated biliary atresia: A report from the National Birth Defects Prevention Study using child–parent trios and a case–control design to identify novel rare variants
Authors: Sok Pagna , Sabo Aniko , Almli Lynn M. , Jenkins Mary M. , Nembhard Wendy N. , Agopian A. J. , Bamshad Michael J. , Blue Elizabeth E. , Brody Lawrence C. , Brown Austin L. , Browne Marilyn L. , Canfield Mark A. , Carmichael Suzan L. , Chong Jessica X. , Dugan‐Perez Shannon , Feldkamp Marcia L. , Finnell Richard H. , Gibbs Richard A. , Kay Denise M. , Lei Yunping , Meng Qingchang , Moore Cynthia A. , Mullikin James C. , Muzny Donna , Olshan Andrew F. , Pangilinan Faith , Reefhuis Jennita , Romitti Paul A. , Schraw Jeremy M. , Shaw Gary M. , Werler Martha M. , Harpavat Sanjiv , Lupo Philip J. ,   University of Washington Center for Mendelian Genomics, NISC Comparative Sequencing Program, the National Birth Defects Prevention Study
Published: March 2023

The etiology of biliary atresia (BA) is unknown, but recent studies suggest a role for rare protein‐altering variants (PAVs). Exome sequencing data from the National Birth Defects Prevention Study on 54 child–parent trios, one child–mother duo, and 1513 parents of children with other birth defects were analyzed. Most (91%) cases were isolated BA. We performed (1) a trio‐based analysis to identify rare de novo, homozygous, and compound heterozygous PAVs and (2) a case–control analysis using a sequence kernel‐based association test to identify genes enriched with rare PAVs. While we replicated previous findings on PKD1L1, our results do not suggest that recurrent de novo PAVs play important roles in BA susceptibility. In fact, our finding in NOTCH2, a disease gene associated with Alagille syndrome, highlights the difficulty in BA diagnosis. Notably, IFRD2 has been implicated in other gastrointestinal conditions and warrants additional study. Overall, our findings strengthen the hypothesis that the etiology of BA is complex.
Chromosome 6p25 deletion syndrome: A case report and review of ophthalmic features
Authors: Le Hong , Jin Eva , Jewell Ann , Jackson‐Cook Colleen , Haskell Gloria T. , Couser Natario
Published: March 2023

The 6p25 deletion syndrome is a rare genetic disorder characterized by a wide spectrum of congenital anomalies. Ophthalmic abnormalities appear to be highly associated with the syndrome, although this relationship has not been well characterized to date. We conducted a systematic literature review to highlight the ocular features in patients with this deletion syndrome and describe a 7‐month‐old female who has a 6.07 MB 6p25.1p25.3 deletion and a 4.25 MB 17q25.3 duplication. Our patient presented with multiple congenital anomalies, including macrocephaly, frontal bossing, low set ears, tent‐shaped mouth, saddle nose, flat midface, and hearing impairment. Her ophthalmic features included proptosis, down‐slanting palpebral fissures, hypertelorism, nystagmus, bilateral posterior embryotoxon, and decentered and abnormally shaped pupils. A systematic review of the published cases with sufficient clinical eye descriptions included 63 cases with a confirmed 6p25 deletion. The most common eye findings observed were posterior embryotoxon, iris hypoplasia, corectopia, cornea opacity, and glaucoma.
Establishment of a non‐alcoholic fatty liver disease model by high fat diet in adult zebrafish
Authors: Li Xiang , Zhou Lei , Zheng Yuying , He Taiping , Guo Honghui , Li Jiangbin , Zhang Jingjing
Published: March 2023

Background

Non‐alcoholic fatty liver disease (NAFLD) has become the most common chronic liver disease in recent years, but the pathogenesis is not fully understood. Therefore, it is important to establish an effective animal model for studying NAFLD.

Methods

Adult zebrafish were fed a normal diet or a high‐fat diet combined with egg yolk powder for 30 days. Body mass index (BMI) was measured to determine overall obesity. Serum lipids were measured using triglyceride (TG) and total cholesterol (TC) kits. Liver lipid deposition was detected by Oil Red O staining. Liver injury was assessed by measuring glutathione aminotransferase (AST) and glutamic acid aminotransferase (ALT) levels. Reactive oxygen species (ROS) and malondialdehyde (MDA) were used to evaluate oxidative damage. The level of inflammation was assessed by qRT‐PCR for pro‐inflammatory factors. H&E staining was used for pathological histology. Caspase‐3 immunofluorescence measured apoptosis. Physiological disruption was assessed via RNA‐seq analysis of genes at the transcriptional level and validated by qRT‐PCR.

Results

The high‐fat diet led to significant obesity in zebrafish, with elevated BMI, hepatic TC, and TG. Severe lipid deposition in the liver was observed by ORO and H&E staining, accompanied by massive steatosis and ballooning. Serum AST and ALT levels were elevated, and significant liver damage was observed. The antioxidant system in the body was severely imbalanced. Hepatocytes showed massive apoptosis. RNA‐seq results indicated that several physiological processes, including endoplasmic reticulum stress, and glucolipid metabolism, were disrupted.

Conclusion

Additional feeding of egg yolk powder to adult zebrafish for 30 consecutive days can mimic the pathology of human nonalcoholic fatty liver disease.
Direct Catalytic Asymmetric and Regiodivergent N1‐ and C3‐Allenylic Alkylation of Indoles
Authors: Zha Taochun , Rui Jiehui , Zhang Zhihan , Zhang Dongqiang , Yang Zhirong , Yu Peiyuan , Wang Yingcheng , Peng Fangzhi , Shao Zhihui
Published: March 2023

Herein we report a Pd‐catalyzed asymmetric allenylic alkylation strategy for the direct functionalization of 1H‐indoles by employing P‐chiral BIBOP‐type ligands. The regioselectivity (N1/C3) of this process can be switched efficiently. Using Cs2CO3 at elevated temperatures in MeCN, N1‐alkylated indoles bearing axial chirality with a stereocenter non‐adjacent (β) to the nitrogen are produced in good yields with high enantioselectivity and complete N1‐regioselectivity regardless of the electronic properties and substitution patterns of diverse indoles. Using K2CO3 at room temperature in CH2Cl2, chiral C3‐alkylated indoles can also be obtained. Notably, we introduce a new class of tri‐substituted allenylic electrophiles that proceeded through different pathways from di‐substituted allenylic electrophiles.
Light‐driven Orderly Assembly of Ir‐atomic Chains to Integrate a Dynamic Reaction Pathway for Acidic Oxygen Evolution
Authors: Xu Zuozheng , Zhou Liqi , Zhou Gang , Wu Shuyi , Wang Peifang , Li Hao , Huang Peilin , Liu Lizhe
Published: March 2023

This work suggests an intriguing light‐driven atomic assembly proposal to orderly configure the distribution of reactive sites to optimize the spin‐entropy‐related orbital interaction and charge transfer from electrocatalysts to intermediates. Herein, the introduced fluorine (F) atoms acting as photo‐corrosion centres in MnO1.9F0.1 effectively soften the bonding interaction of Mn−O bonds in the IrCl3 solution. Therefore, partial Mn atoms can be successively replaced to form orderly atomic‐hybridized catalysts with a spin‐related low entropy due to the coexistence of Ir‐atomic chains and clusters. The time‐related elemental analysis demonstrates that the dynamic dissolution/redeposition of Ir clusters in acidic oxygen evolution leads to a reintegration of the reaction pathway to seek the switchable rate‐limiting step with a lower activation energy.
Heptagon‐Containing Nanographene Embedded into [10]Cycloparaphenylene
Authors: Mora‐Fuentes Juan P. , Codesal Marcos D. , Reale Marco , Cruz Carlos M. , Jiménez Vicente G. , Sciortino Alice , Cannas Marco , Messina Fabrizio , Blanco Victor , Campaña Araceli G.
Published: March 2023

We report the synthesis and characterization of a novel type of nanohoop, consisting of a cycloparaphenylene derivative incorporating a curved heptagon‐containing π‐extended polycyclic aromatic hydrocarbon (PAH) unit. We demonstrate that this new macrocycle behaves as a supramolecular receptor of curved π‐systems such as fullerenes C60 and C70, with remarkably large binding constants (ca. 107 M−1), as estimated by fluorescence measurements. Nanosecond and femtosecond spectroscopic analysis show that these host‐guest complexes are capable of quasi‐instantaneous charge separation upon photoexcitation, due to the ultrafast charge transfer from the macrocycle to the complexed fullerene. These results demonstrate saddle‐shaped PAHs with dibenzocycloheptatrienone motifs as structural components for new macrocycles displaying molecular receptor abilities and versatile photochemical responses with promising electron‐donor properties in host‐guest complexes.
Synthesis, DFT calculations, α‐glucosidase inhibitor activity, and docking studies on Schiff base metal complexes containing isothiocyanate
Authors: Özge Özgen , Avcı Davut , Sönmez Fatih , Tamer Ömer , Dege Necmi , Başoğlu Adil , Atalay Yusuf , Kurt Belma Zengin
Published: March 2023

Diabetes is one of the fastest growing global health crises of the 21st century. One of the current therapeutic approaches used in the treatment of diabetes involves the suppression of carbohydrate hydrolyzing enzymes such as α‐glucosidase. In this context, α‐glucosidase inhibitors are important in the treatment and prevention of diabetes. For this reason, new Schiff base complexes including isothiocyanate {[Cd(L1)2(NCS)2], (1), [Zn(L1)2(NCS)2], (2), [Cu(L1)2(NCS)2], (3), [Ag(L1)(NCS)2], (4), [Hg(L1)2(NCS)Cl], (5); L1: N‐(pyridin‐2‐ylmethylene)methanamine} were synthesized to investigate α‐glucosidase inhibitor potentials. The IC50 values of complexes 1–5 were found at 0.2376 ± 0.82 and 251.403 ± 2.54‐μM range. Among these complexes, complex 5 has the highest α‐glucosidase inhibitor property. The spectral investigations for the complexes 1/2–5 characterized by XRD/LC‐HRMS were performed by UV–Vis and FT–IR spectra. Furthermore, the TD‐DFT/DFT calculations were fulfilled by using CAM‐B3LYP and ωB97XD/6–311+G(d,p)//LanL2DZ levels to obtain optimum complex structures, spectral, linear and nonlinear optical properties for 1–5. According to obtained theoretical nonlinear optical results, complex 3 is a strong indicator in terms of microscopic nonlinear optical (NLO) properties. The docking studies of these complexes were examined to display the target protein interactions with these complexes.
Effect of TESPT on viscoelastic and mechanical properties with the morphology of SSBR/BR hybrid nanocomposites
Authors: Barghamadi Mohammad , Karrabi Mohammad , Ghoreishy Mir Hamid Reza , Naderi Ghasem
Published: March 2023

In this study, the various properties of hybrid nanocomposite based on solution styrene butadiene rubber (SSBR)/butadiene rubber (BR) have been investigated. For this purpose, SSBR/BR rubber blend with nano‐silica and carbon black (CB) in constant filler content (60 phr) with and without Bis (triethoxysilylpropyl) tetrasulfide (TESPT) silane coupling agent was fabricated. The various properties, including curing behavior, morphology, dynamic–mechanical, and dissipation characteristics, were studied. For this objective, rheometry, field emission scanning electron microscope (FESEM), transmission electron microscopy (TEM), tensile test, and Dynamic mechanical thermal analysis (DMTA) were used. The results of rheometry illustrated that the addition of nano‐silica increased the optimum cure time (t90) and declined the cure rate index (CRI). However, the addition of surface‐modified silica improved the t90 and CRI. Replacing nano‐silica with CB also reduced the scorch and optimum cure time. TEM and SEM micrographs showed the good dispersion state of nano‐silica in the SSBR/BR/nano‐silica/TESPT matrix. According to the mechanical test data, including tensile, hardness, and abrasion, the addition of hybrid filler containing 40 phr modified nano‐silica and 20 phr CB improved properties. The results of DMTA illustrated the appropriate compatibility between blend phases, also an increase in the glass transition temperature (Tg) and storage modulus (E′) for the samples containing higher amounts of CB. Considering the importance of the damping factor at temperatures of −20, 0, and 60°C, which is related to ice grip, wet grip, and rolling resistance, respectively, the TSi40CB20 sample showed the essential properties of the magic triangle better than other samples. Dissipative properties also revealed that by increasing the filler content and replacing nano‐silica with CB, the dissipation of the compound increases significantly. According to the results, the optimum amount of nano‐silica and CB in the SSBR/BR/TESPT was 40 and 20 phr, respectively.
Novel benzimidazole‐linked (thio)barbiturates as non‐hydroxamate HDAC6 inhibitors targeting leukemia: Design, synthesis, and structure–activity relationship
Authors: Mansour Reda El‐Sayed , Abdulwahab Hanan Gaber , El‐Sehrawi Hend M.
Published: March 2023

Based on the well‐established pharmacophoric features required for histone deacetylase (HDAC) inhibition, novel easy‐to‐prepare benzimidazole‐linked (thio)barbiturate derivatives were designed and synthesized as HDAC6 inhibitors. The proposed structures of the title compounds were confirmed based on their spectral data and elemental analyses. The newly synthesized compounds were screened in vitro against HDAC6. All tested compounds showed potent HDAC6 inhibition at the nanomolar level. Several compounds displayed a remarkable HDAC6 inhibitory activity (IC50 = 48.85–75.62 nM), superior to that of the reference drug suberoylanilide hydroxamic acid (SAHA; IC50 = 91.73 nM). The most potent derivatives were further assessed for their in vitro anticancer activity against two human leukemia cell lines. Thiobarbiturate 3e was two times more potent than SAHA against the tested cells. The detailed structure–activity relationship was also described. Furthermore, molecular docking simulation revealed the ability of the title compounds to chelate the catalytic Zn+2 ion located within the binding pocket of HDAC6. In silico evaluation of physicochemical properties indicated that the target compounds are promising candidates in terms of pharmacokinetic aspects.
What can we learn from earthbound experiments about the equation of state of strongly interacting matter?
Authors: Aichelin Jörg
Published: March 2023

We present results from earthbound experiments on the equation of state of strongly interacting matter, which are relevant for neutron start and gravitational wave studies.
Gymnemic acid‐conjugated gelatin scaffold for enhanced bone regeneration: A novel insight to tissue engineering
Authors: Joy Shilpa , Thomas Nebu George
Published: March 2023

Bone tissue engineering deals with the design of bone scaffolds. The selection of porous scaffold for osteoblast attachment and suppression of microbial infections are the major challenges that were addressed by designing gelatin scaffolds conjugated with gymnemic acid. Gelatin scaffold was prepared by loading gymnemic acid and morphological characterization, porosity, water absorption behavior, and biocompatibility of the scaffold were studied. The scaffold was introduced to the rat calvarial bone defect (BD) and analyzed the serum C reactive protein, alkaline phosphatase activity, and histology for 1 month to study the reconstruction. Adult Sprague–Dawley rats were used as sham operated control, animal with BD, and animal with BD which was implanted with scaffold (BDMB). The scanning electron micrograph revealed porous nature of scaffold. There was no significant difference in water absorption ability of scaffold. The C reactive protein was not observed in the serum collected on the 5th day postsurgery, supported the biocompatibility. The alkaline phosphatase activity in BDMB was increased when compared with BD on 15th and 20th day and then decreased. New bone tissue formation was detected with hematoxylin–eosin staining. The scaffold is effective in enhancing bone regeneration, which will have therapeutic significance in orthopedics and dentistry.
N6‐ Methyladenosine defines a new checkpoint in γδ T cell development
Authors: Zhao Jiachen , Ding Chenbo , Li Hua‐Bing
Published: March 2023

T cells, which are derived from hematopoietic stem cells (HSCs), are the most important components of adaptive immune system. Based on the expression of αβ and γδ receptors, T cells are mainly divided into αβ and γδ T cells. In the thymus, they share common progenitor cells, while undergoing a series of well‐characterized and different developmental processes. N6‐Methyladenosine (m6A), one of the most abundant modifications in mRNAs, plays critical roles in cell development and maintenance of function. Recently, we have demonstrated that the depletion of m6A demethylase ALKBH5 in lymphocytes specifically induces an expansion of γδ T cells through the regulation of Jag1/Notch2 signaling, but not αβ T cells, indicating a checkpoint role of ALKBH5 and m6A modification in the early development of γδ T cells. Based on previous studies, many key pathway molecules, which exert dominant roles in γδ T cell fate determination, have been identified as the targets regulated by m6A modification. In this review, we mainly summarize the potential regulation between m6A modification and these key signaling molecules in the γδ T cell lineage commitment, to provide new perspectives in the checkpoint of γδ T cell development.
Shell engineering in soft alginate‐based capsules for culturing liver spheroids
Authors: Peng Xuan , Janićijević Željko , Lemm Sandy , Laube Markus , Pietzsch Jens , Bachmann Michael , Baraban Larysa
Published: March 2023

Functional interaction between cancer cells and the surrounding microenvironment is still not sufficiently understood, which motivates the tremendous interest for the development of numerous in vitro tumor models. Diverse parameters, for example, transport of nutrients and metabolites, availability of space in the confinement, etc. make an impact on the size, shape, and metabolism of the tumoroids. We demonstrate the fluidics‐based low‐cost methodology to reproducibly generate the alginate and alginate‐chitosan microcapsules and apply it to grow human hepatoma (HepG2) spheroids of different dimensions and geometries. Focusing specifically on the composition and thickness of the hydrogel shell, permeability of the microcapsules was selectively tuned. The diffusion of the selected benchmark molecules through the shell has been systematically investigated using both, experiments and simulations, which is essential to ensure efficient mass transfer and/or filtering of the biochemical species. Metabolic activity of spheroids in microcapsules was confirmed by tracking the turnover of testosterone to androstenedione with chromatography studies in a metabolic assay. Depending on available space, phenotypically different 3D cell assemblies have been observed inside the capsules, varying in the tightness of cell aggregations and their shapes. Conclusively, we believe that our system with the facile tuning of the shell thickness and permeability, represents a promising platform for studying the formation of cancer spheroids and their functional interaction with the surrounding microenvironment.
Experimental and Computational Fluid Dynamics‐Based Simulation of Oil‐in‐Water Emulsion Flow through a Pipeline
Authors: Vegad Girish D. , Jana Arun Kumar
Published: March 2023

Due to its high viscosity, heavy crude oil (HCO) is often transported through pipelines as concentrated oil‐in‐water emulsion. Here, emulsions were prepared with different concentrations of polyoxyethylene (5) sorbitan monooleate to study their flow characteristics through a horizontal pipeline. Laminar flow of HCO and an emulsion with 75 % (v/v) HCO and 25 % (v/v) water was simulated by using Ansys Fluent 2019 R3 to study the effect of temperature, volumetric flow rate, and surfactant concentration on pressure drop, dynamic viscosity, hydrodynamic entrance length, flow behavior index, consistency index, and pumping power requirement. Laminar flow of the emulsion was simulated by using a two‐phase mixture flow model considering the emulsion as a pseudo‐homogeneous mixture, while the flow of HCO was simulated as viscous laminar flow. Flow behavior index and consistency index were predicted from experimental viscosity data and used to predict pressure drop and, hence, the pumping power requirement.
Extraktion von Zellstoff aus Nicht‐Holzpflanzen und Vergleich mit Holzpflanzen
Authors: Lexa Anna , Sängerlaub Sven , Zollner-Croll Helga
Published: March 2023

Ein Trend in der Zellstoff‐ und Papierindustrie ist die Nutzung von Nicht‐Holzpflanzen, z. B. von Einjahrespflanzen und Gräsern. Sie sollen Bäume als Rohstoffquelle für Zellstoff substituieren. Da sich die Zusammensetzung und die Fasereigenschaften unterscheiden, müssen diese bewertet werden. In dieser Machbarkeitsstudie wurden Zellstoff aus Hopfen, Hanf und Miscanthus extrahiert, die Ausbeuten und die Fasereigenschaften untersucht und mit verfügbaren Daten für Zellstoff aus Kiefern‐ und Fichtenholz (Northern Bleached Softwood Kraft) verglichen. Es zeigten sich sehr hohe Ausbeuten von bis zu 86,6 Ma.‐% für den Natural‐Pulping‐Aufschluss sowie eine niedrige Kappa‐Zahl von 3,5 für Miscanthus. Demnach wurde fast das gesamte Lignin entfernt. Damit bestätigt sich die hohe chemische Wirksamkeit der Aufschlüsse sowie das große Potenzial von Einjahrespflanzen und Gräsern.
Prognostic factors of childhood acute lymphoblastic leukemia with TCF3::PBX1 in CCCG‐ALL‐2015: A multicenter study
Authors: Zhang Honghong , Wan Yang , Wang Hongsheng , Cai Jiaoyang , Yu Jie , Hu Shaoyan , Fang Yongjun , Gao Ju , Jiang Hua , Yang Minghua , Liang Changda , Jin Runming , Tian Xin , Ju Xiuli , Hu Qun , Jiang Hui , Li Zhifan , Wang Ningling , Sun Lirong , Leung Alex W. K. , Wu Xuedong , Qian Xiaowen , Qian Maoxiang , Li Chi‐kong , Yang Jun , Tang Jingyan , Zhu Xiaofan , Shen Shuhong , Zhang Li , Pui Ching‐Hon , Zhai Xiaowen
Published: March 2023

Background

Contemporary risk‐directed treatment has improved the outcome of patients with acute lymphoblastic leukemia (ALL) and TCF3::PBX1 fusion. In this study, the authors seek to identify prognostic factors that can be used to further improve outcome.

Methods

The authors studied 384 patients with this genotype treated on Chinese Children's Cancer Group ALL‐2015 protocol between January 1, 2015 and December 31, 2019. All patients provisionally received intensified chemotherapy in the intermediate‐risk arm without prophylactic cranial irradiation; those with high minimal residual disease (MRD) ≥1% at day 46 (end) of remission induction were candidates for hematopoietic cell transplantation.

Results

The overall 5‐year event‐free survival was 84.4% (95% confidence interval [CI], 80.6–88.3) and 5‐year overall survival 88.9% (95% CI, 85.5–92.4). Independent factors associated with lower 5‐year event‐free survival were male sex (80.4%, [95% CI, 74.8–86.4] vs. 88.9%, [95% CI, 84.1–93.9] in female, p = .03) and positive day 46 MRD (≥0.01%) (62.1%, [95% CI, 44.2–87.4] vs. 87.1%, [95% CI, 83.4–90.9] in patients with negative MRD, p < .001). The presence of testicular leukemia at diagnosis (n = 10) was associated with particularly dismal 5‐year event‐free survival (33.3% [95% CI, 11.6–96.1] vs. 83.0% [95% CI, 77.5–88.9] in the other 192 male patients, p < .001) and was an independent risk factor (hazard ratio [HR], 5.7; [95% CI, 2.2–14.5], p < .001).

Conclusions

These data suggest that the presence of positive MRD after intensive remission induction and testicular leukemia at diagnosis are indicators for new molecular therapeutics or immunotherapy in patients with TCF3::PBX1 ALL.
Health behavior profiles in young survivors of childhood cancer: Findings from the St. Jude Lifetime Cohort Study
Authors: Webster Rachel Tillery , Dhaduk Rikeenkumar , Gordon Mallorie L. , Partin Robyn E. , Kunin‐Batson Alicia S. , Brinkman Tara M. , Willard Victoria W. , Allen Jennifer M. , Alberts Nicole M. , Lanctot Jennifer Q. , Ehrhardt Matthew J. , Li Zhenghong , Hudson Melissa M. , Robison Leslie L. , Ness Kirsten K.
Published: March 2023

Background

There is limited understanding of associations between a combination of health behaviors (physical activity, sedentary/screen‐time, diet) and cardiometabolic health risk factors, physical performance, and emotional health among young (<18) childhood cancer survivors (CCS). The aims of this research were to address this gap by 1) deriving health behavior adherence profiles among CCS, and 2) examining associations among demographic, diagnosis and/or treatment exposures, cardiometabolic, physical performance, and emotional functioning with health behavior profile membership.

Methods

Participants included 397 CCS (≥5 years post‐diagnosis; 10–17 years old) enrolled in the St. Jude Lifetime Cohort Study who completed physical health evaluations and questionnaires assessing health behaviors and psychological functioning. Latent profile analysis was used to derive profiles of health behavior adherence. Logistic regression and t‐tests were used to examine mean‐level differences and associations between profile membership with demographic, diagnosis, treatment exposures, cardiometabolic health, psychological functioning, and physical performance.

Results

Two profiles emerged: inactive‐unhealthy‐diet (“IU”) and active‐sedentary‐unhealthy‐diet (“ASU”) to guidelines. More participants in IU demonstrated higher resting heart rate (mean [M], 76.54; SD = 12.00) and lower motor proficiency scores (M = 34.73; SD = 29.15) compared to ASU (resting heart rate, M = 71.95, SD = 10.74; motor proficiency, M = 50.40, SD = 31.02).

Conclusions

CCS exhibited low adherence to multiple health behavior guidelines, with adherence patterns differentially associated with cardiometabolic health (i.e., resting heart rate) and physical performance. However, robust protection against all health variables was not observed. Findings suggest interventions designed to improve health outcomes should target multiple health behaviors simultaneously.

Plain Language Summary

Pediatric cancer survivors are at‐risk for detrimental health outcomes associated with cancer and treatment.

Engagement in healthy lifestyle behaviors serves to reduce health vulnerabilities among adult survivors but less is known about associations with lifestyle behaviors on young survivors.

This study documents patterns of lifestyle behaviors among survivors of pediatric cancer, factors that increase susceptibility to nonadherence, and associations among lifestyle behaviors and health indicators.
Clinical characteristics and outcomes of children with newly diagnosed acute myeloid leukemia and hyperleukocytosis managed with different cytoreductive methods
Authors: Christakopoulos Georgios E. , Walker Kendra N. , Smith Jesse , Takemoto Clifford M. , Zheng Yan , Pui Ching‐Hon , Ribeiro Raul C. , Wang Lei , Pounds Stanley B. , Rubnitz Jeffrey E. , Inaba Hiroto
Published: March 2023

Background

Hyperleukocytosis in patients with acute myeloid leukemia (AML) has been associated with worse outcomes. For cytoreduction, leukapheresis has been used but its clinical utility is unknown, and low‐dose cytarabine (LD‐cytarabine) is used as an alternative method.

Methods

Children with newly diagnosed AML treated between 1997 and 2017 in institutional protocols were studied. Hyperleukocytosis was defined as a leukocyte count of ≥100 × 109/L at diagnosis. Clinical characteristics, early complications, survival data, and effects of cytoreductive methods were reviewed. Among 324 children with newly diagnosed AML, 49 (15.1%) presented with hyperleukocytosis. Initial management of hyperleukocytosis included leukapheresis or exchange transfusion (n = 16, considered as one group), LD‐cytarabine (n = 18), hydroxyurea (n = 1), and no leukoreduction (n = 14).

Results

Compared with patients who received leukapheresis, the percentage decrease in leukocyte counts following intervention was greater among those who received LD‐cytarabine (48% vs. 75%; p = .02), with longer median time from diagnosis to initiation of protocol therapy (28.1 vs. 95.2 hours; p < .001). The incidence of infection was higher in patients (38%) who had leukapheresis than those who receive LD‐cytarabine (0%) or leukoreduction with protocol therapy (14%) (p = .008). No differences were noted in the outcomes among the intervention groups. Although patients with hyperleukocytosis had higher incidences of pulmonary and metabolic complications than did those without, no early deaths occurred, and the complete remission, event‐free survival, overall survival rates, and outcomes of both groups were similar.

Conclusion

LD‐cytarabine treatment appears to be a safe and effective means of cytoreduction for children with AML and hyperleukocytosis.
Synthesis of Ce‐Doped MIL‐125‐NH2 for Promoting Catalytic H2O2 Production from Water and O2 under Visible Light Irradiation
Authors: Yan Baolin , Hu Shen , Bu Chunyan , Peng Yi'an , Han Huaize , Xu Xinghang , Liu Yihan , Yu Jianxiang , Dai Yuhua
Published: March 2023

Despite the direct utilizing metal‐organic frameworks (MOFs) as promising photocatalysts for H2O2 production, their activity and selectivity are still undesirable owing to the insufficient active centers, weak visible‐light absorption, and limited charge transfer. Herein, the Ce‐doped Ti‐based MOFs MIL‐125‐NH2 photocatalysts (Ce/TiMOFs) were synthesized by a facile impregnation‐coordination method, during which the doped Ce species could not only extend the visible‐light absorption edge but also provide new reactive sites for promoting the charge transfer and selectivity of two‐electron O2 reduction. Interestingly, the optimal Ce/TiMOFs‐0.010 achieved a rate of H2O2 yield of 2464 μM h−1 g−1 with ∼3.4‐fold improvement compared to TiMOFs, attributed to the faster conversion rate of the main reactive oxygen intermediates (⋅O2−) and improved average transfer electron number. This work provides an effective strategy to optimize the photocatalytic performances of MOFs and expands the application of MOFs in the sustainable energy production field.