bluuebunny/crossref_metadata_2025_split huggingface dataset:
Ehlers‐Danlos/myopathy overlap syndrome caused by a large de novo deletion in COL12A1
Authors: Coppens Sandra , Desmyter Laurence , Koch Manuel , Özcelik Semra , O'Heir Emily , Van Bogaert Patrick , Vilain Catheline , Christiaens Florence 
Published: January 2022

AbstractAutosomal dominant and recessive mutations in COL12A1 cause the Ehlers‐Danlos/myopathy overlap syndrome. Here, we describe a boy with fetal hypokinesia, severe neonatal weakness, striking hyperlaxity, high arched palate, retrognathia, club feet, and pectus excavatum. His motor development was initially delayed but muscle strength improved with time while hyperlaxity remained very severe causing recurrent joint dislocations. Using trio exome sequencing and a copy number variation (CNV) analysis tool, we identified an in‐frame de novo heterozygous deletion of the exons 45 to 54 in the COL12A1 gene. Collagen XII immunostaining on cultured skin fibroblasts demonstrated intracellular retention of collagen XII, supporting the pathogenicity of the deletion. The phenotype of our patient is slightly more severe than other cases with dominantly acting mutations, notably with the presence of fetal hypokinesia. This case highlights the importance of CNVs analysis in the COL12A1 gene in patients with a phenotype suggesting Ehlers‐Danlos/myopathy overlap syndrome.
H2O2‐Promoted Alkoxyalkylation of Terminal Alkynes Employing Two Strategies with Transition‐Metal‐Free Conditions
Authors: Hua Hui‐Liang , Wang Guo‐Ping , Cheng Jing‐Li , Liang Yong‐Min , Zhao Jin‐Hao 
Published: January 2022

AbstractH2O2‐promoted alkoxyalkylation of terminal alkynes by employing two strategies were developed, this is the first example of the direct C(sp3)−H functionalization of ethers to prepare 2‐vinyl heterocycles by using H2O2 as the radical initiator and oxidant. Particularly, this transformation could be conducted without expensive photocatalysts or transition metal catalysts under mild conditions.
Rh(III)‐Catalyzed C−H Activation/Annulation of N‐Methyl Arylhydrazines with Iodonium Ylides toward Ring‐fused Cinnolines
Authors: Pan Changduo , Yuan Cheng , Chen Dongdong , Chen Yuefeng , Yu Jin‐Tao 
Published: January 2022

AbstractThe first Rh(III)‐catalyzed annulation of N‐methyl arylhydrazines with iodonium ylides was developed. This transformation undergoes cascade C−H activation/annulation, dehydration and demethylative aromatization under very simple reaction conditions, providing a series of oxycycloalkyl‐fused cinnolines in good yields.
Finite element analysis of crenulated and non‐crenulated hominid molars: A functional hypothesis explaining the adaptive significance of molar crenulation
Authors: Cano‐Fernández Hugo , Jernvall Jukka 
Published: January 2022

AbstractObjectivesThe occlusal surface of many mammalian teeth has grooves that have been collectively called crenulations. The evolutionary significance of this trait is unknown, but it has been associated with a hard diet. It has not been explained, however, why crenulated molars may present an increased mechanical resistance. The objective of this study was to determine whether a crenulated surface dissipate mechanical stress more efficiently than a smooth one.Materials and methodsUsing μCT scans we built 3D models of lower second molars from Homo, Pan, Gorilla, and Pongo. The crenulated models from Homo and Pongo were modified to remove crenulations. Finite element analysis was used to determine the distribution of mechanical stress in all the models when a vertical force was applied.ResultsThe results show that crenulated molars have a distinctive pattern of mechanical stress, namely the stress is higher in the valleys than in the crests of the crenulations. In non‐crenulated molars, mechanical stress is more homogeneously distributed. Highly crenulated molars of orangutans show the smallest values of mean stress among the compared species. Artificially removing crenulations results in more homogeneous distribution of stresses and increased mean stress values.ConclusionsMolar crenulations may increase molar resistance by canalizing mechanical stress from the tip to the base of the cusps. The overall cusp shape also influences the distribution of stress. This mechanism may be a functional hypothesis to explain the association between crenulated molars and mechanically demanding diets.
Porphyrin‐Based COF 2D Materials: Variable Modification of Sensing Performances by Post‐Metallization
Authors: Liu Ming , Chen Yong‐Jun , Huang Xin , Dong Long‐Zhang , Lu Meng , Guo Can , Yuan Daqiang , Chen Yifa , Xu Gang , Li Shun‐Li , Lan Ya‐Qian 
Published: January 2022

Abstract2D nanomaterials with flexibly modifiable surfaces are highly sought after for various applications, especially in room‐temperature chemiresistive gas sensing. Here, we have prepared a series of COF 2D nanomaterials (porphyrin‐based COF nanosheets (NS)) that enabled highly sensitive and specific‐sensing of NO2 at room temperature. Different from the traditional 2D sensing materials, H2‐TPCOF was designed with a largely reduced interlayer interaction and predesigned porphyrin rings as modifiable sites on its surfaces for post‐metallization. After post‐metallization, the metallized M‐TPCOF (M=Co and Cu) showed remarkably improved sensing performances. Among them, Co‐TPCOF exhibited highly specific sensing toward NO2 with one of the highest sensitivities of all reported 2D materials and COF materials, with an ultra‐low limit‐of‐detection of 6.8 ppb and fast response/recovery. This work might shed light on designing and preparing a new type of surface‐highly‐modifiable 2D material for various chemistry applications.
Modular Halogenation, α‐Hydroxylation, and Acylation by a Remarkably Versatile Polyketide Synthase
Authors: Hemmerling Franziska , Meoded Roy A. , Fraley Amy E. , Minas Hannah A. , Dieterich Cora L. , Rust Michael , Ueoka Reiko , Jensen Katja , Helfrich Eric J. N. , Bergande Cedric , Biedermann Maurice , Magnus Nancy , Piechulla Birgit , Piel Jörn 
Published: January 2022

AbstractBacterial multimodular polyketide synthases (PKSs) are large enzymatic assembly lines that synthesize many bioactive natural products of therapeutic relevance. While PKS catalysis is mostly based on fatty acid biosynthetic principles, polyketides can be further diversified by post‐PKS enzymes. Here, we characterized a remarkably versatile trans‐acyltransferase (trans‐AT) PKS from Serratia that builds structurally complex macrolides via more than ten functionally distinct PKS modules. In the oocydin PKS, we identified a new oxygenation module that α‐hydroxylates polyketide intermediates, a halogenating module catalyzing backbone γ‐chlorination, and modular O‐acetylation by a thioesterase‐like domain. These results from a single biosynthetic assembly line highlight the expansive biochemical repertoire of trans‐AT PKSs and provide diverse modular tools for engineered biosynthesis from a close relative of E. coli.
Calix[4]pyrrolato Stannate(II): A Tetraamido Tin(II) Dianion and Strong Metal‐Centered σ‐Donor
Authors: Ruppert Heiko , Greb Lutz 
Published: January 2022

AbstractAnionic, metal‐centered nucleophiles are emerging compounds with unique reactivities. Here, we describe the isolation and full characterization of the first tetraamido tin(II) dianion, its behavior as ligand towards transition metals, and its reactivity as a tin‐centered nucleophile. Experimental values such as the Tolman electronic parameter (TEP) and computations attest tin‐located σ‐donor ability exceeding that of carbenes or electron‐rich phosphines. Against transition metals, the stannate(II) can act as η1‐ or η5‐type ligand. With aldehydes, it reacts by hydride substitution to give valuable acyl stannates. The reductive dehalogenation of iodobenzene indicates facile redox pathways mediated by halogen bond interaction. Calix[4]pyrrolato stannate(II) represents the first example of this macrocyclic ligand in low‐valent p‐block element chemistry.
Integration of inventory control into the port‐Hamiltonian framework for dissipative stabilization of chemical reactors
Authors: Hoang N. Ha , Ydstie B. Erik 
Published: January 2022

AbstractThis work integrates passivity‐based inventory control with the port‐Hamiltonian framework to design stabilizing feedback laws for lumped parameter chemically reacting systems. A static state feedback law with admissible controls is developed using an inventory‐related storage function as a closed loop Hamiltonian function. The control gain matrix is derived from the interconnection and damping matrices of the resulting Hamiltonian representation. Consequently, the proposed controller globally and exponentially stabilizes the system at a desired set‐point (including the open loop unstable equilibrium point) without restrictions on the reaction kinetics. Numerical simulations illustrate the application of the theory to a nonisothermal, continuous stirred tank reactor with the steady‐state multiplicity. The proposed approach is compared with the thermodynamic availability‐based control approach in terms of amplitude and variation rate to show its performance and effectiveness.
Synthesis, physicochemical characterization, and in vitro evaluation of biodegradable PLGA nanoparticles entrapped to folic acid for targeted delivery of kaempferitrin
Authors: Govindarasu Mydhili , Abirami Pari , Alharthi Salman S. , Thiruvengadam Muthu , Rajakumar Govindasamy , Vaiyapuri Manju 
Published: January 2022

AbstractPolymeric nanoparticles are widely studied in the treatment of colorectal cancer. Kaempferitrin‐loaded nontoxic and biodegradable poly(d,l‐lactic‐co‐glycolic acid) (PLGA) nanoparticles (NPs) developed by the solvent emulsion evaporation method by improving its solubility and bioavailability. In order to improve the delivery of kaempferitrin (KM) to cancerous cells, folic acid (FA) combined kaempfertrin PLGA NPs were prepared. The goal of the study was whether PLGA NPs with surface KM and FA could help to prevent colorectal cancer. The synthesis of KM with FA in a nanomedicine could be crucial in the development of colon cancer chemotherapeutics. The physicochemical characteristics of synthesized KM‐entrapped PLGA NPs were investigated by XRD, FTIR, zeta potential, and TEM. The KM + FA + PLGA NPs showed particle size with 132.9 ± 1.4 nm, zeta potential ‒15.0 ± 1.73 mV, encapsulation efficiency 67.92 ± 4.8, and drug‐loading capacity 0.463 ± 0.173. In vitro cytotoxicity study on HT‒29 cell lines using the MTT assay, the apoptotic study revealed that KM + FA + PLGA NPs have an enhanced cytotoxic effect compared to the KM + PLGA NPs drug solution. These findings suggested that KM + FA + PLGA NPs could be an effective chemotherapeutic drug delivery system in colon adenocarcinoma HT‐29 cells.
Midlife brain metastases in the United States: Is male at risk?
Authors: Che Wenqiang , Wang Yujiao , Wang Xiangyu , Lyu Jun 
Published: January 2022

AbstractBackgroundPopulation‐based estimates of the impact of gender throughout the whole course of brain metastases (BMs) at the time of diagnosis of systemic malignancies are insufficient. We aimed to discover the influence of gender on the presence of BMs in newly diagnosed malignancies and the survival of those patients on a population‐based level.MethodsMidlife patients (40 years ≤ age ≤60 years) with newly diagnosed malignancies and BMs at the time of diagnosis were abstracted from the Surveillance, Epidemiology, and End Results (SEER) database of the National Cancer Institute. Clinical variables adjusted patient data. The LASSO regression was performed to exclude the possibility of collinearity. Univariable and multivariable logistic regression analyses were applied to find independent predictors for the presence of BMs, while univariable and multivariable Cox proportional hazard regression analyses were used to determine prognosticators of survival. K‐M curves were used to perform the survival analysis.Result276,327 population‐based samples met inclusion criteria between 2014 and 2016, and 5747 (2.08%) patients were diagnosed with BMs at the time of diagnosis of systematic malignancies. Among all midlife patients with cancer, 44.02% (121,634) were male, while 51.68% (2970) were male among patients with BMs at the time of diagnosis. The most frequent tumor type was breast cancer (23.11%), and lung cancer had the highest incidence proportion of BMs among the entire cohort (19.34%). The multivariable logistic regression model suggested that female (vs. male, odds ratio [OR] 1.07, 95% CI: 1.01–1.14, p < 0.001) was associated with a higher risk of the presence of BMs at the time of diagnosis. Moreover, in the multivariable Cox model for all‐cause mortality in individuals with BMs at diagnosis, female (vs. male, hazard ratio [HR], 0.86, 95% CI, 0.80–0.92, p < 0.001) was shown to have a lower risk of decreased all‐cause mortality.ConclusionThe middle‐aged females were at increased risk of developing BMs, while the middle‐aged males with BMs were at higher risk of having poorer survival.
Synthesis, Biological Evaluation and in Silico Studies of New Pyrazoline Derivatives Bearing Benzo[d]thiazol‐2(3H)‐one Moiety as Potential Urease Inhibitors
Authors: Tok Fatih , Baltaş Nimet , Tatar Gizem , Koçyiğit‐Kaymakçıoğlu Bedia 
Published: January 2022

AbstractNovel pyrazoline derivatives containing benzo[d]thiazol‐2(3H)‐one moiety were synthesized and screened for their inhibitory properties against urease, a clinically important metabolic enzyme. In vitro enzyme inhibition studies revealed that all pyrazolines (7.21–87.77 μM) were more potent than the standard inhibitor acetohydroxamic acid (251.74 μM) against the urease enzyme. Most notably, compound 2m, which is more active than the other compounds in vitro and molecular docking studies, showed a significant inhibition potential and efficient IC50 values (7.21±0.09 μM) and in silico inhibition constant (0.11 μM). Furthermore, molecular dynamics (MD) simulation analysis suggests that the binding stability of urease enzyme and compound 2m were stably maintained during the 100 ns simulation time. Compound 2m also exhibited good physicochemical and pharmacokinetic parameters. The overall results of urease inhibition have indicated that these pyrazoline derivative compounds can be further optimized and developed for the discovery of novel urease inhibitors.
Understanding repeat hospitalizations in intermediate‐to‐high risk aortic stenosis patients following transcatheter aortic valve replacement
Authors: Chiou Andrew , Yap Jonathan , Russo Steven , Stripe Benjamin R. , Wong Garrett B. , Southard Jeffrey A. 
Published: January 2022

AbstractObjectivesWe describe the causes, timing and predictors of readmissions and analyze its impact on clinical outcomes in intermediate‐to‐high‐risk patients with severe symptomatic aortic stenosis (AS) who underwent transcatheter aortic valve replacement (TAVR).BackgroundIntermediate‐high risk TAVR patients with severe AS have an increased risk for hospital readmissions due to the high burden of comorbidities.MethodsPatients who underwent TAVR from 2012 to 2018 at a single tertiary cardiac center were included and followed for 1 year. Readmissions were categorized as noncardiovascular (non‐CV) and CV.ResultsA total of 611 patients (410 with no readmissions, 201 with ≥1 readmissions) were included. There was a total of 317 readmissions (mean: 1.58 ± 1.09 per readmitted patient) with 65 patients having ≥2 readmissions. 64.0% were non‐CV and 36.0% were CV. The top three CV causes were pacemaker/implantable cardioverter‐defibrillator placement, bleeding, and stroke. About 23% occurred at 1 m, the majority were CV; 45% occurred between 7 and 12 m, the majority were non‐CV. Those with ≥1 readmissions had a higher burden of comorbidities including peripheral arterial disease, diabetes, immunosuppression, prior percutaneous coronary interventions, and dialysis. Readmissions were associated with higher 1‐year mortality (adjusted hazard ratio: 2.53, 95% confidence interval: 1.40–4.59; p = 0.002). High‐risk patients had higher non‐CV readmissions (0.37 ± 0.79 vs. 0.25 ± 0.62; p = 0.044) compared to intermediate‐risk patients but similar CV readmissions (p = 0.645).ConclusionsUnderstanding readmissions post‐TAVR will promote the early identification of at‐risk groups and the implementation of preventative measures to improve outcomes and reduce the burden and costs of readmissions.
Gore Cardioform ASD device thrombus weeks after COVID‐19 infection
Authors: Aquino Liliam , Muniz Juan Carlos , Laufer Pablo Marcelo , Prieto Lourdes R. 
Published: January 2022

AbstractDevice‐related thrombosis and device‐related endocarditis after atrial septal defect (ASD) transcatheter closure are extremely rare. It is known that COVID‐19 infection could lead to a thrombotic microangiopathy‐like phenomenon. We present the case of a 14‐year‐old female who developed fever and was found to have a thrombus on the right atrial side of the ASD closure device weeks after an asymptomatic COVID‐19 infection and negative COVID‐19 test 2 days before transcatheter ASD closure. Although there is no certainty that the thrombus was related to the prior COVID‐19 infection, the possibility of an ongoing COVID‐19‐related hypercoagulable state should be entertained.
Effect of hydrophilic–lipophilic balance values of sucrose esters on cornstarch retrogradation
Authors: Chen Yan , Wang Yu‐Sheng , Yu Zhen , Chen Hai‐Hua 
Published: January 2022

AbstractBackground and objectivesThe relationship between the different hydrophilic–lipophilic balance (HLB) values of sucrose esters and the retardant effect on the cornstarch retrogradation have not been investigated. The present research was aimed to evaluate the effects of the sucrose esters with different HLB values on the retrogradation properties by analyzing the changes in the crystalline structure and water mobility of cornstarch gels after storage.FindingsAll sucrose ester with HLB value (2–15), especially the HLB 15, could retard the long‐term retrogradation of cornstarch gels. After being stored for the same time, the retrograded cornstarch gels containing sucrose ester of HLB 15 had the lowest hardness, relative crystallinity, and R1047/1022. Compared with the additive‐free cornstarch, the hardness, relative crystallinity, and R1047/1022 of cornstarch with sucrose ester of HLB 15 were significantly decreased by 142 g, 8.66%, and 0.41, respectively, after being stored at 4°C for 7 days.ConclusionsSucrose ester with a high HLB value showed a strong retardant effect on the starch retrogradation.Significance and noveltyThese results suggested that sucrose ester with higher HLB value might be a more effective additive in retarding the retrogradation of cornstarch gels.
A fatal case of COVID‐19 breakthrough infection due to the delta variant
Authors: Bignardi Elio , Brogna Claudia , Capasso Chiara , Brogna Barbara 
Published: January 2022

AbstractCOVID‐19 infections that occur at least 2 weeks after complete vaccination are known as breakthrough infections. Herein, we report a clinical case resembling breakthrough infection that was correlated with a higher score of COVID‐19 pneumonia on chest computed tomography (CT) in a patient who resulted positive for the delta variant and who died during the hospitalization.
Day 14 intervention for penetrating brain injury with a good Glasgow Coma Scale score: A case report
Authors: Matsubara Mai , Sakamoto Yoshiaki , Takahashi Satoshi , Ota Yu , Kishi Kazuo 
Published: January 2022

AbstractPenetrating brain injury is a rare pathology generally requiring emergency surgical intervention. We discuss a case of penetrating brain injury by the umbrella in which surgical intervention was performed 14 days after the injury, and obtained good clinical results.
Penetrating thorn in the heart complicated by infective endocarditis
Authors: Hassan Salah Eldin M. E. , Ahmed Mohamed Alamin , Hussein Sabir Taha , Elsheikh Abdallah Elamin , Eljack Moh. Mah. Fadel Alla , Salah‐Eldien Hassan Haroun Mazin , Mohamed Ahmed Khabab Abbasher Hussien , Omer Mohammed Eltahier Abdalla , Elfatih Mustafa Ghassan 
Published: January 2022

AbstractA 3‐year‐old child presented with recurrent chest pain for 3 months, echocardiography showed a thorn inside the left ventricle, the patient was diagnosed with foreign body complicated with infective endocarditis and received proper treatment, and operation was performed after inflammatory reaction subsided.
Springboard Role for Iridium Photocatalyst: Theoretical Insight of C(sp3)−N Cross‐Coupling by Photoredox‐Mediated Iridium/Copper Dual Catalysis versus Single‐Copper Catalysis
Authors: Li Run‐Han , Wang Shuang , Zhao Zhi‐Wen , Geng Yun , Wang Xin‐Long , Su Zhong‐Min , Guan Wei 
Published: January 2022

AbstractPhotoredox‐mediated dual metal catalysis has been considered as a more efficient method for cross‐coupling reactions than single metal catalysis, however, the nature of the significant difference is still unclear. In this work, theoretical research into the decarboxylative C(sp3)−N couplings by IrIII/CuI metallaphotoredox catalysis has been performed by density functional theory (DFT) calculations. A cooperative catalysis mechanism merging the photocatalytic cycle (IrIII−*IrIII−IrII−IrIII) and the copper catalytic cycle (CuI−CuII−CuIII−CuI) has more advantages. For the dual catalysis, the photocatalyst plays a “springboard” role in matching better the energy levels of IrIII/CuI and CuI/substrates, which could improve the single electron transfer rate. Moreover, exogenous bases could adjust the proton transfer process and decrease the energy barrier of the rate‐determining step to achieve the regioselective monofunctionalization. These theoretical insights could contribute to a deeper understanding of the nature of the photocatalytic decarboxylation reaction and to further developing new cross‐coupling reactions.
Narrow‐bandwidth emissive carbon dots: A rising star in the fluorescent material family
Authors: Zhao Biao , Ma Huanyu , Zheng Mengyun , Xu Kunxiang , Zou Chao , Qu Songnan , Tan Zhan'ao 
Published: January 2022

AbstractFluorescent carbon dots (CDs) have recently become a research hotspot in multidisciplinary fields owing to their distinctive advantages, including outstanding photoluminescence properties, high biocompatibility, low toxicity, and abundant raw materials. Among the promising CDs, narrow‐bandwidth emissive CDs with high color purity have emerged as a rising star in recent years because of their significant potential applications in bioimaging, information sensing, and photoelectric displays. In this review, the state‐of‐the‐art advances of narrow‐bandwidth emissive CDs are systematically summarized, and the factors influencing the emission bandwidth, preparation methods, and applications of narrow‐bandwidth emissive CDs are described in detail. Besides, existing challenges and future perspectives for achieving high‐performance narrow‐bandwidth emissive CDs are also discussed. This overview paper is expected to generate more interest and promote the rapid development of this significant research area.