bluuebunny/crossref_metadata_2025_split huggingface dataset:
Early adversity and positive parenting: Association with cognitive outcomes in children with autism spectrum disorder
Authors: Kuenzel Elizabeth , Seguin Diane , Nicolson Robert , Duerden Emma G. 
Published: September 2021

AbstractAutism spectrum disorder (ASD) is a neurodevelopmental disorder characterized by impairments in social communication and repetitive behaviors. Children with ASD are statistically more likely to experience early adversity; however, little is known about the types of early adversity that place these children at risk, the role of parenting as a protective factor, and how this early life stress impacts cognitive outcomes. We assessed early adversity in 302 children (ASD = 98) aged 6–16 years old, using parent‐based report. To identify protective factors, we assessed parenting styles using parent surveys. Executive functions were assessed in the children using the WISC‐V. Children with ASD had an increased incidence of familial stressors compared to the typically developing (TD) group. Positive parenting was associated with a significant decrease in the incidence of familial adverse events for both children with ASD and TD children. Examining the relationship between adversity and cognitive outcomes, in young children (6–11 years) with ASD, environmental stressors were associated with cognitive impairments. Findings suggest children with ASD may be at higher risk for familial adversity than their TD peers. However, all children benefit from positive parenting styles, which may mitigate the adverse effects of family‐based early life stress.Lay SummarySome key features of Autism Spectrum Disorder (ASD) include difficulties with communication and social impairments. This means that children with ASD may be more likely to experience early adversity (stressful social interactions which take place during childhood) than children without ASD. Research in typically developing (TD) children has shown that experiencing more stressful events in childhood can cause changes in the brain, which can potentially impact the child's memory, reasoning, and decision‐making skills later in life. However, there is evidence to suggest that having a nurturing relationship with a parent can offset some of the negative impacts of childhood adversity. In our study, we found that children with ASD are more likely to experience family‐related stress compared to TD children. Having a positive relationship with a parent, however, was linked to experiencing this type of stress less often for all children, regardless of whether they were diagnosed with ASD. We also found that stressors related to environmental factors like financial instability were associated with lower cognitive abilities in children with ASD under 12 years of age. Understanding how these factors interact and differ in children with ASD can help to build stronger families and help children with ASD to thrive throughout their development.
Synthesis of lanthanide‐doped strontium aluminate nanoparticles encapsulated in polyacrylonitrile nanofibres: photoluminescence properties for anticounterfeiting applications
Authors: El‐Newehy Mohamed H. , Kim Hak Yong , Khattab Tawfik A. , Moydeen A. Meera , El‐Naggar Mehrez E. 
Published: September 2021

AbstractPhotochromism has been applied as an interesting technique in order to improve the anticounterfeiting of commercial commodities. To build up a mechanically reliable anticounterfeiting nanocomposite, it has been vital to enhance the engineering process of the anticounterfeiting material. In the current study, we developed mechanically reliable and highly photoluminescent lanthanide‐doped strontium aluminate nanoparticles (LSAN)/polyacrylonitrile (PAN) hybrid nanofibres successfully fabricated using an electrospinning technique for anticounterfeiting applications. The produced nanocomposite films exhibited ultraviolet‐induced photochromic anticounterfeiting properties. To guarantee the transparency of the LSAN‐PAN film, LSAN must be immobilized onto the nanoparticle size to allow better dispersion without aggregation in the polyacrylonitrile matrix. The LSAN‐PAN nanofibrous film demonstrated absorbance intensity that exhibited at 354 nm and associated with an emission intensity at 424 nm. The produced LSAN‐PAN films demonstrated an enhanced hydrophobicity when increasing the ratio of LSAN, without adversely influencing their native appearance and mechanical performance. Upon excitation with ultraviolet light, the translucent nanofibrous substrates exhibited fast and reversible photochromic activity to greenish‐yellow without exhaustion. The nanofibrous films exhibited stretchability, transparency, flexibility, and ultraviolet light‐induced photochromism at low cost. The current strategy can be considered as an efficient technique towards the development of various anticounterfeiting materials for a better market with economic and social values.
Maintenance treatment with rucaparib for recurrent ovarian carcinoma in ARIEL3, a randomized phase 3 trial: The effects of best response to last platinum‐based regimen and disease at baseline on efficacy and safety
Authors: Oaknin Ana , Oza Amit M. , Lorusso Domenica , Aghajanian Carol , Dean Andrew , Colombo Nicoletta , Weberpals Johanne I. , Clamp Andrew R. , Scambia Giovanni , Leary Alexandra , Holloway Robert W. , Amenedo Gancedo Margarita , Fong Peter C. , Goh Jeffrey C. , O’Malley David M. , Armstrong Deborah K. , Banerjee Susana , García‐Donas Jesus , Swisher Elizabeth M. , Cameron Terri , Maloney Lara , Goble Sandra , Ledermann Jonathan A. , Coleman Robert L. 
Published: September 2021

AbstractBackgroundThe efficacy and safety of rucaparib maintenance treatment in ARIEL3 were evaluated in subgroups based on best response to most recent platinum‐based chemotherapy and baseline disease.MethodsPatients were randomized 2:1 to receive either oral rucaparib at a dosage of 600 mg twice daily or placebo. Investigator‐assessed PFS was assessed in prespecified, nested cohorts: BRCA‐mutated, homologous recombination deficient (HRD; BRCA mutated or wild‐type BRCA/high loss of heterozygosity), and the intent‐to‐treat (ITT) population.ResultsMedian PFS for patients in the ITT population with a complete response to most recent platinum‐based chemotherapy was 11.1 months in the rucaparib arm (126 patients) versus 5.6 months in the placebo arm (64 patients) (HR, 0.33 [95% CI, 0.23–0.48]), and in patients with a partial response (249 vs. 125), it was 9.0 versus 5.3 months (HR, 0.38 [0.30–0.49]). In subgroups of the ITT population based on baseline disease, median PFS was 8.2 versus 5.3 months (HR, 0.40 [0.28–0.57]) in patients with measurable disease (141 rucaparib vs. 66 placebo), 10.4 versus 4.5 months (HR, 0.31 [0.20–0.48]) in those with nonmeasurable but evaluable disease (104 vs. 56), and 14.1 versus 7.3 months (HR, 0.35 [0.24–0.51]) in those with no residual disease (130 vs. 67). Across subgroups, significantly longer median PFS was observed with rucaparib versus placebo in the BRCA‐mutated and HRD cohorts. Objective responses were reported in patients with measurable disease and in patients with nonmeasurable but evaluable baseline disease. Safety was consistent across subgroups.ConclusionRucaparib maintenance treatment provided clinically meaningful efficacy benefits across subgroups based on response to last platinum‐based chemotherapy or baseline disease.
Elective percutaneous coronary intervention performed during contrast‐induced hypotension
Authors: Soomro Armaghan Y. , Almaddah Nureddin , Lendel Vasili , Agarwal Shiv Kumar , Uretsky Barry F. 
Published: September 2021

AbstractObjectivesTo demonstrate the feasibility and safety of performing elective percutaneous coronary intervention (PCI) during contrast reaction producing severe hypotension.BackgroundThe development of profound hypotension due to a contrast reaction requires emergency treatment and usually signals procedure termination.Methods and ResultsWe report successful completion of planned PCI with blood pressure support with vasopressors during contrast‐induced hypotension in nine procedures in three patients with previously known contrast reaction causing hypotension.ConclusionsThis case series provides support for the feasibility and safety of performing successful planned PCI under blood pressure support in patients with contrast reaction causing severe hypotension. A management approach for considering intervention in the setting of contrast‐induced hypotension is provided.
Cartilage tympanoplasty for recurrent cholesteatoma using a single sliced cartilage graft: Our experience in 14 ears
Authors: Komori Masahiro , Kobayashi Taisuke , Hyodo Jun , Hyodo Masamitsu 
Published: September 2021

AbstractOur procedure may provide a useful alternative in cases where previous surgeries have failed to eradicate the cholesteatoma.
Intra‐articular hip neurofibromas in von Recklinghausen's disease
Authors: Lassoued Ferjani Hanene , Moalla Myriam , Maatallah Kaouther , Ben Nessib Dorra , Triki Wafa , Kaffel Dhia , Hamdi Wafa 
Published: September 2021

AbstractNeurofibromatosis is a genetic disorder with osteo‐articular manifestations. The intra‐articular location of neurofibroma is scarce.
Subcutaneous emphysema of the extremities: Be wary of necrotizing fasciitis, but also consider occult rupture or perforation
Authors: Tosi Maurizio , Al‐Awa Alexandre , Raeymaeckers Steven , De Mey Johan 
Published: September 2021

AbstractNot all causes of subcutaneous emphysema are attributable to necrotizing fasciitis. Consider other causes of subcutaneous emphysema in the differential diagnosis.
Treatment of impacted canines with aligners: An alternative and viable option
Authors: Mampieri Gianluca , Castroflorio Tommaso , Conigliaro Andrea , Giancotti Aldo 
Published: September 2021

AbstractTo recover impacted canines without esthetic issues, the aligners can be a resolutive tool allowing by pontics the camouflage of absent canines during orthodontic treatment. Knowledge of biomechanics, correct staging of dental movements, and surgery planification are strategic to achieve a good result.
Coexisting primary tumors from esophageal cancer and myelodysplastic syndromes: A case report
Authors: Imamura Hiroki , Tamura Shigeyuki , Hattori Hideki , Kidogami Shinya , Mokutani Yukako , Kishimoto Tomoya , Hashimoto Yasuji , Hirose Hajime , Yoshioka Shinichi , Kuwayama Maki , Endo Shunji , Sasaki Yo 
Published: September 2021

AbstractThis is the first report of the double primary cancer of esophageal cancer (EC) and myelodysplastic syndromes (MDS) treated without esophagectomy. Previously reported cases of the double cancer mostly describe secondary MDS arising after treatment for EC. The double primary cancer was manageable with close follow‐ups for possible recurrence.
Squamous cell carcinoma arising in a mature cystic teratoma of the ovary
Authors: Limaiem Faten , Saffar Khalil , Halouani Ahmed 
Published: September 2021

AbstractOvarian teratomas with an extensive solid component in patients aged more than 40 years should raise the suspicion of malignancy. Such specimens should be thoroughly sampled, and the patient must be followed up for a long period.
Exposure History and its Effect Towards Stabilizing Li Exchange Across Disordered Rock Salt Interfaces
Authors: Satish Rohit , Wichmann Lennart , Crafton Matthew J. , Giovine Raynald , Li Linze , Ahn Juhyeon , Yue Yuan , Tong Wei , Chen Guoying , Wang Chongmin , Clement Raphäele J. , Kostecki Robert 
Published: September 2021

AbstractThe application of lithium rich disordered rock salts (DRX) as cathode materials has greatly expanded the materials space for high energy density cathodes. These materials are able to consistently achieve capacities higher thanviaa complex percolation based intercalation mechanism. Most current DRX materials face significant capacity fade when cycled over an extended period. One of the factors responsible for this could be deleterious side effect of interface reactions between the electrode and electrolyte at high voltage. We aim to focus on one aspect of this interaction, i.e the effect of exposure to electrolyte on the surface and its effect on the electrochemical properties of(LMNOF) powder. LMNOF was systematically treated in an electrolyte solution for varying periods of time at an elevated temperature. Treated samples exhibit surface layer modification (removal of F rich surface layer), leading to a 10 % improvement in the capacity retention behavior of LMNOF. Surface and bulk based measurements indicate an increase in disorder and gradual removal of F and Li. All of these processes mimic an aging process similar to cycling. Thisa prioriformed interface allows for increased stability with respect to retention of capacity and oxygen loss.
Anodic Oxidation of Iodobenzene and Iodobenzoic Acids in Acetic Acid Environment – Electrochemical Investigation and Density Functional Theory Study
Authors: Bystron Tomas , Devadas Balamurugan , Bouzek Karel , Svoboda Jan , Kolarikova Viola , Kvicala Jaroslav 
Published: September 2021

AbstractKinetic and mechanistic aspects of an anodic oxidation of iodobenzene and its selected derivatives leading to the corresponding iodosyl compounds, were investigated in anhydrous acidic acetic acid environment using boron‐doped diamond electrode. The first electron removal leading to the formation of radical cation was identified as the rate determining step of the process. Oxidation potential values of the investigated compounds were rationalised by their solution phase ionisation energies (in conformation of the radical cations as products of the first electron removal), calculated by advanced DFT methods. Unexpectedly low oxidation potential of 2‐iodobenzoic acid and its functional derivatives compared to iodobenzene, 3‐iodo and 4‐iodobenzoic acids was explained by decreased electron density at iodine atom leading to planar 2‐iodobenzoic acid radical cation. This is connected with reordering of its frontier molecular orbitals compared to non‐planar neutral molecule.
Helical Oligophenylene Linked with [2.2]Paracyclophane: Stereogenic π‐Conjugated Dye for Highly Emissive Chiroptical Properties
Authors: Hasegawa Masashi , Ishida Yuki , Sasaki Hiroaki , Ishioka Sumire , Usui Kazuteru , Hara Nobuyuki , Kitahara Maho , Imai Yoshitane , Mazaki Yasuhiro 
Published: September 2021

AbstractA stereogenic π‐system based on dimer (2) and trimer (3) of [2.2]paracyclophane (PC) and biphenyl was prepared and its structural, photophysical, and chiroptical properties were investigated. X‐ray analysis revealed that the quaterphenyl moieties in 2 adopt a double helical structure anchoring [2.2]PC from both sides. Furthermore, 3 forms a isosceles triangle structure with a large chiral cavity. A homodesmotic reaction using DFT calculations revealed that 2 has a larger strain energy than 3 owing to its highly twisted phenylene linkers. Electronic and circular dichroic (CD) spectra were recorded in CH2Cl2 solution. The spectra of both 2 and 3 are similar, and their longest absorption band accompanying a remarkable Cotton effect is attributed to the transition from HOMO to LUMO, which is delocalized to the quaterphenyl moiety. These compounds exhibit fairly high fluorescence quantum yields (ϕ=0.70–0.83) and moderate dissymmetry factor (|gCPL|=1.6×10−3) in circularly polarized luminescence (CPL).
Switchable Chemoselectivity of Reactive Intermediates Formation and Their Direct Use in A Flow Microreactor
Authors: Ashikari Yosuke , Tamaki Takashi , Kawaguchi Tomoko , Furusawa Mai , Yonekura Yuya , Ishikawa Susumu , Takahashi Yusuke , Aizawa Yoko , Nagaki Aiichiro 
Published: September 2021

AbstractA chemoselectivity switchable microflow reaction was developed to generate reactive and unstable intermediates. The switchable chemoselectivity of this reaction enables a selection for one of two different intermediates, an aryllithium or a benzyl lithium, at will from the same starting material. Starting from bromo‐substituted styrenes, the aryllithium intermediates were converted to the substituted styrenes, whereas the benzyl lithium intermediates were engaged in an anionic polymerization. These chemoselectivity‐switchable reactions can be integrated to produce polymers that cannot be formed during typical polymerization reactions.
Controlled Synthesis of Oligomers Containing Main‐Chain B(sp2)‐B(sp2) Bonds
Authors: Schorr Fabian , Schopper Nils , Riensch Nicolas , Fantuzzi Felipe , Neder Marco , Dewhurst Rian D. , Thiess Torsten , Brückner Tobias , Hammond Kai , Helten Holger , Finze Maik , Braunschweig Holger 
Published: September 2021

AbstractA number of novel alkynyl‐functionalized diarylbis(dimethylamino)diboranes(4) are prepared by salt metathesis, and the appended alkynyl groups are subjected to hydroboration. Their reactions with monohydroboranes lead to discrete boryl‐appended diborane(4) species, while dihydroboranes induce their catenation to oligomeric species, the first known examples of well‐characterized macromolecular species with B−B bonds. The oligomeric species were found to comprise up to ten repeat units and are soluble in common organic solvents. Some of the oligomeric species have good air stability and all were characterized by NMR and vibrational spectroscopy and size‐exclusion chromatography techniques.
SPONGE: A GPU‐Accelerated Molecular Dynamics Package with Enhanced Sampling and AI‐Driven Algorithms
Authors: Huang Yu‐Peng , Xia Yijie , Yang Lijiang , Wei Jiachen , Yang Yi Isaac , Gao Yi Qin 
Published: September 2021

Comprehensive SummarySPONGE (Simulation Package tOward Next GEneration molecular modeling) is a software package for molecular dynamics (MD) simulation of solution and surface molecular systems. In this version of SPONGE, the all‐ atom potential energy functions used in AMBER MD packages are used by default and other all‐atom/coarse‐ grained potential energy functions are also supported. SPONGE is designed to extend the timescale being approached in MD simulations by utilizing the latest CUDA‐ enabled graphical processing units (GPU) and adopting highly efficient enhanced sampling algorithms, such as integrated tempering, selective integrated tempering and enhanced sampling of reactive trajectories. It is highly modular and new algorithms and functions can be incorporated con veniently. Particularly, a specialized Python plugin can be easily used to perform the machine learning MD simulation with MindSpore, TensorFlow, PyTorch or other popular machine learning frameworks. Furthermore, a plugin of Finite‐Element Method (FEM) is also available to handle metallic surface systems. All these advanced features increase the power of SPONGE for modeling and simulation of complex chemical and biological systems.
What is the most favorite and original chemistry developed in your research group?Our research centers at developing methods and theories to unravel molecular mechanisms of chemical and biological systems. By establishing theoretical models, developing enhanced sampling methods combined with machine learning techniques, we are able to conduct comprehensive thermodynamic and dynamic analyses for these complex systems.How do you get into this specific field? Could you please share some experiences with our readers?I got into theoretical chemistry as a PhD student. My PhD adviser Prof. Rudolph A. Marcus led me into this field and inspired me by his love of science. Enjoy life, always learn new things and be independent inthinking are something I learnt from my advisers (Professors Dalin Yang, Qihe Zhu, Rudy Marcus, and Martin Karplus) and would love to pass to my students.How do you supervise your students?We learn from each other.What is the most important personality for scientific research?Curiosity, passion, and persistence have been of great value to my career.What are your hobbies? What's your favorite book(s)?Reading, Ping‐Pong, and jogging. I always enjoy reading history.Who influences you mostly in your life?Too many, family, academic advisors, friends, students, and colleagues.
Stimuli‐Responsive Polycycles Based on Hetero‐Buckybowl Trithiasumanene
Authors: Wang Wenbo , Feng Lijun , Hua Xinqiang , Yuan Chengshan , Shao Xiangfeng 
Published: September 2021

Main observation and conclusionStimuli‐responsive molecules are highly desirable in different scenario such as smart materials, bio‐imaging, and environment monitoring. Herein, a series of hetero polycycles which show optical response toward chemical stimuli are synthesized from trithiasumanene (TTS). The TTS is transformed into ortho‐quinone form, which then undergoes three‐component Debus‐Radziszewski reaction with aldehydes and ammonia to give oxazole‐fused TTS (2—6). The thiophene rings on 3—5 are selectively oxidized to thiophene‐S,S‐dioxides, affording 3‐3O2—5‐3O2. It is found that the electronic structures of these compounds are governed by the substituents on oxazole moiety and oxidation state of thiophene ring. Moreover, these hetero polycycles exhibit optical response toward different chemical stimuli. Particularly, compounds 6 and 3‐3O2 can serve as fluorescence detectors for harmful chemicals sulfide ions (S2–/HS–) and aniline, respectively. This work indicates that TTS is a promising precursor for the creation of responsive materials.
Comparative metabolomics analysis of bronchial epithelium during barrier establishment after allergen exposure
Authors: López‐Rodríguez Juan Carlos , Rodríguez‐Coira Juan , Benedé Sara , Barbas Coral , Barber Domingo , Villalba María Teresa , Escribese María Marta , Villaseñor Alma , Batanero Eva 
Published: September 2021

AbstractBackgroundSeveral studies have shown a correlation between an altered metabolome and respiratory allergies. The epithelial barrier hypothesis proposes that an epithelial barrier dysfunction can result in allergic diseases development. Der p 1 allergen from house dust mite is a renowned epithelial barrier disruptor and allergy initiator due to its cysteine‐protease activity. Here, we compared the metabolic profile of the bronchial epithelium exposed or not to Der p 1 during barrier establishment to understand its active role in allergy development.MethodsCalu‐3 cells were cultivated in air‐liquid interface cultures and exposed to either Der p 1 or Ole e 1 allergens during barrier establishment. The comparative metabolomics analysis of apical and basolateral media were performed using liquid chromatography and capillary electrophoresis both coupled to mass spectrometry.ResultsWe showed that epithelial barrier disruption by Der p 1 was associated with a specific metabolic profile, which was highly dependent on the state of the epithelium at the time of contact. Moreover, an apical‐basolateral distribution of the metabolites was also observed, indicating a compartmentalization of the response with differential metabolic patterns. A number of metabolites were changed by Der p 1, mainly related to amino acids metabolism, such as L‐arginine, L‐kynurenine and L‐methionine.ConclusionThis work is the first report on the metabolic response in human bronchial epithelial cells associated with cysteine‐protease Der p 1 activity, which could contribute to allergy development. Moreover, it supports a reformulated epithelial barrier hypothesis that might help to explain allergies and their increasing prevalence.