bluuebunny/crossref_metadata_2025_split huggingface dataset:
The Association Between Parental Age and Autism‐Related Outcomes in Children at High Familial Risk for Autism
Authors: Lyall Kristen , Song Lanxin , Botteron Kelly , Croen Lisa A. , Dager Stephen R. , Fallin M. Daniele , Hazlett Heather C. , Kauffman Elizabeth , Landa Rebecca , Ladd‐Acosta Christine , Messinger Daniel S. , Ozonoff Sally , Pandey Juhi , Piven Joseph , Schmidt Rebecca J. , Schultz Robert T. , Stone Wendy L. , Newschaffer Craig J. , Volk Heather E. 
Published: April 2020

AbstractAdvanced parental age is a well‐replicated risk factor for autism spectrum disorder (ASD), a neurodevelopmental condition with a complex and not well‐defined etiology. We sought to determine parental age associations with ASD‐related outcomes in subjects at high familial risk for ASD. A total of 397 younger siblings of a child with ASD, drawn from existing prospective high familial risk cohorts, were included in these analyses. Overall, we did not observe significant associations of advanced parental age with clinical ASD diagnosis, Social Responsiveness Scale, or Vineland Adaptive Behavior Scales scores. Instead, increased odds of ASD were found with paternal age < 30 years (adjusted odds ratio [AOR] = 2.83 and 95% confidence intervals [CI] = 1.14–7.02). Likewise, younger age (<30 years) for both parents was associated with decreases in Mullen Scales of Early Learning early learning composite (MSEL‐ELC) scores (adjusted β = −9.62, 95% CI = −17.1 to −2.15). We also found significant increases in cognitive functioning based on MSEL‐ELC scores with increasing paternal age (adjusted β associated with a 10‐year increase in paternal age = 5.51, 95% CI = 0.70–10.3). Results suggest the potential for a different relationship between parental age and ASD‐related outcomes in families with elevated ASD risk than has been observed in general population samples. Autism Res 2020, 13: 998‐1010. © 2020 International Society for Autism Research, Wiley Periodicals, Inc.Lay SummaryPrevious work suggests that older parents have a greater likelihood of having a child with autism. We investigated this relationship in the younger siblings of families who already had a child with autism. In this setting, we found a higher likelihood of autism, as well as poorer cognitive scores, in the siblings with younger fathers, and higher cognitive scores in the siblings with older parents. These results suggest that parental age associations may differ based on children's familial risk for autism.
Development and validation of a nomogram to predict survival after curative resection of nonmetastatic colorectal cancer
Authors: Hong Tingting , Cai Dongyan , Jin Linfang , Zhang Ying , Lu Tingxun , Hua Dong , Wu Xiaohong 
Published: April 2020

AbstractBackgroundWe aimed to develop a clinical applicable nomogram to predict overall survival (OS) for patients with curatively resected nonmetastatic colorectal cancer.MethodsRecords from a retrospective cohort of 846 patients with complete information were used to construct the nomogram. The nomogram was validated in a prospective cohort of 379 patients. The performance of the nomogram was evaluated with concordance index (c‐index), time‐dependent receiver operating characteristic (ROC) curves, calibration plots, and decision curve analyses for discrimination, accuracy, calibration ability, and clinical net benefits respectively, and further compared with AJCC 8th TNM staging and the MSKCC nomogram. Risk stratification based on nomogram scores was performed with recursive partitioning analysis.ResultsThe nomogram incorporated age, Glasgow prognostic score, pretreatment carcinoembryonic antigen levels, T staging, N staging, number of harvested lymph nodes, and histological grade. Compared with the 8th AJCC staging and MSKCC model, the nomogram had a statistically higher c‐index (0.77, 95% CI: 0.73‐0.80), bigger areas under the time‐dependent ROC curves (AUC at 3 years: 79; at 5 years: 79), and improved clinical net benefits. Calibration plots revealed no deviations from reference lines. All results were reproducible in the validation cohort. Nomogram‐based risk stratification successfully discriminated patients within each AJCC stage (all log‐rank P < .05).ConclusionWe established an accurate, reliable, and easy‐to‐use nomogram to predict OS after curative resection for nonmetastatic colorectal cancer (CRC). The nomogram outperformed the 8th AJCC staging and the MSKCC model and could aid in personalized treatment and follow‐up strategy for CRC patients.
Evaluating overall survival and competing risks of survival in patients with early‐stage breast cancer using a comprehensive nomogram
Authors: Xu Yan‐Bo , Liu Hong , Cao Qi‐Hua , Ji Jia‐Li , Dong Rong‐Rong , Xu Dong 
Published: April 2020

AbstractBackgroundPatients with early‐stage breast cancer (BC) live long but have competing comorbidities. This study aimed to estimate the effect of cancer and other causes of death in patients with early‐stage BC and further quantify the survival differences.Materials and methodsData of patients diagnosed with BC between 2010 and 2016 were collected from the Surveillance, Epidemiology, and End Results database. The cumulative incidence function for breast cancer–specific mortality (BCSM) and other cause‐specific mortality (OCSM) was estimated, and the differences were tested using the Gray test. The nomogram for estimating 3‐, 4‐, and 5‐year overall survival (OS), breast cancer–specific survival, and other cause‐specific survival was established based on Cox regression analysis and Fine and Gray competing risk analysis. The discriminative ability, calibration, and precision of the nomogram were evaluated and compared using C statistics, calibration plots, and area under the receiver operating characteristic curve.ResultsA total of 196 304 eligible patients with early‐stage BC were identified in this study. Of these, 12 417 (6.3%) patients died: 5628 (45.3%) due to BC and 6789 (54.7%) due to other causes. Five validated variables were incorporated to develop the prognostic nomogram: age, grade, tumor size, subtype, and surgery of primary site (Figure 3). Age was a strong predictive factor, which was more obvious in OCSM. The effect of surgery was more prominent in BCSM. Increased tumor size was correlated with OS and BCSM and slightly correlated with OCSM. Grade and subtype differences were more predominant in BCSM than in OCSM. The established nomogram was well calibrated and displayed good discrimination.ConclusionsWe evaluate OS and competing risks of death in patients with early‐stage BC, establishing the first comprehensive prognostic nomogram.
Modified percutaneous suture‐mediated patent fossa ovalis closure for prevention of cerebral ischemic events
Authors: Gaspardone Achille , De Santis Antonella , Giannico Maria B. , Sgueglia Gregory A. 
Published: April 2020

AbstractPercutaneous suture‐mediated transcatheter patent fossa ovalis (PFO) closure has been shown to be an effective and safe technique with self‐evident advantages due to the lack of a permanent device heart implant. The success of this novel technique relies on an optimal catch of the interatrial septa, especially the septum primum which is floppier than the bulkier muscular septum secundum. We hypothesized that double suture of septum primum would further improve the efficacy of the procedure by increasing the surface contact between the septa when the septum primum is bent into the right atrium. We have provided proof of this concept by implementing a modified technique in two patients with PFO and cerebral ischemic events.
Thermodynamic Models and Central Composite Design for Calcium Sulfate Dihydrate Solubility
Authors: Kiran-Yildirim Bercem , Gencaslan Aybala , Titiz-Sargut Sibel 
Published: April 2020

AbstractThe solubility of calcium sulfate dihydrate (gypsum) was measured in HCl solutions in the presence of Cr3+ and Fe3+ ions at various temperatures. The results indicate that the solubility of gypsum is fairly dependent on the concentrations of HCl and impurities, i.e., Cr3+ and Fe3+ ions. The experimental data were analyzed by applying the Buchowski‐Kiazczak (λh) model and the modified Apelblat model. Some thermodynamic parameters, such as the standard molar dissolution enthalpy, the standard molar Gibbs energy, and the entropy of solutions, were calculated by Van't Hoff analysis and Gibbs equation. The influences of the concentrations of both HCl and impurities, i.e., Cr3+ and Fe3+ ions, and temperature on the gypsum solubility were examined by applying the central composite design.
Control over Kinetic and Thermodynamically Driven Pathways of Crystallization to Yield Cofacial and Slipped‐Stack Dimers in Single Crystals
Authors: Ghosh Tapan , Birudula Srikanth , Kalita Kalyan Jyoti , Vijayaraghavan Ratheesh K. 
Published: April 2020

AbstractControl over the molecular packing in the solid state is of utmost importance in regulating the bulk optical properties of organic semiconductors. The electronic coupling between the molecules makes it possible to improve the properties of the bulk materials. This work reports an example of control over the selective formation of polymorphic single crystals of donor–acceptor‐type small‐molecule compound 25TR by 1) kinetic or 2) thermodynamic course of crystallisation to yield slipped stack (S) and cofacial (C) dimers in the single crystals. The distinct optical characteristics of the C‐dimer and S‐dimer are summarised. Both forms show significant excitonic interactions in the solid state, and the S‐dimeric form has strong yellowish orange fluorescence, whereas the C‐dimeric form is non‐fluorescent in the crystalline state. DFT calculations and differential scanning calorimetric experiments revealed that the C‐dimer polymorph is the thermodynamically stable form with a free energy offset of 0.43 eV in comparison with the S‐dimer. Interestingly, the thermodynamically driven non‐fluorescent single crystal was found to be convertible to its fluorescent form irreversibly by thermal trigger. The charge‐carrier‐transport characteristics of these two polymorphs were computed by using the Marcus–Hush formalism. The computations of the charge‐carrier‐transport behaviour revealed that the S‐dimer (25TR(R)) is ambipolar, whereas the C‐dimer (25TR(Y)) is predominantly n‐type.
Structural Transformation of SnS2 to SnS by Mo Doping Produces Electro/Photocatalyst for Hydrogen Production
Authors: Kadam Sunil R. , Ghosh Sirshendu , Bar‐Ziv Ronen , Bar‐Sadan Maya 
Published: April 2020

AbstractSnS and SnS2 are layered semiconductors, with potential promising properties for electro‐ and photocatalytic hydrogen (H2) production. The vast knowledge in preparation and modification of layered structures was still not employed successfully in this system to fully maximize its potential. Here, the first report of structural transformation of SnS2 into SnS with Mo‐doping as a bifunctional catalyst for the hydrogen evolution reaction (HER) is reported. The structural phase transition optimized the properties of the material, providing a more delicate morphology with additional catalytic sites. The electrochemical studies showed overpotential of 377 mV at 10 mA cm−2 for HER with Tafel slopes of 100 mV dec−1 in 0.5 m H2SO4 for 10 % Mo‐SnS. The same structure acts as an efficient photocatalyst in the generation of H2 from water under visible illumination with rate of 0.136 mmol g−1 h−1 of H2, which is 20 times higher than pristine SnS2 under visible light.
On‐Chip Neo‐Glycopeptide Synthesis for Multivalent Glycan Presentation
Authors: Mende Marco , Tsouka Alexandra , Heidepriem Jasmin , Paris Grigori , Mattes Daniela S. , Eickelmann Stephan , Bordoni Vittorio , Wawrzinek Robert , Fuchsberger Felix F. , Seeberger Peter H. , Rademacher Christoph , Delbianco Martina , Mallagaray Alvaro , Loeffler Felix F. 
Published: April 2020

AbstractSingle glycan–protein interactions are often weak, such that glycan binding partners commonly utilize multiple, spatially defined binding sites to enhance binding avidity and specificity. Current array technologies usually neglect defined multivalent display. Laser‐based array synthesis technology allows for flexible and rapid on‐surface synthesis of different peptides. By combining this technique with click chemistry, neo‐glycopeptides were produced directly on a functionalized glass slide in the microarray format. Density and spatial distribution of carbohydrates can be tuned, resulting in well‐defined glycan structures for multivalent display. The two lectins concanavalin A and langerin were probed with different glycans on multivalent scaffolds, revealing strong spacing‐, density‐, and ligand‐dependent binding. In addition, we could also measure the surface dissociation constant. This approach allows for a rapid generation, screening, and optimization of a multitude of multivalent scaffolds for glycan binding.
A HF Loaded Lewis‐Acidic Aluminium Chlorofluoride for Hydrofluorination Reactions
Authors: Kervarec Maëva‐Charlotte , Kemnitz Erhard , Scholz Gudrun , Rudić Svemir , Braun Thomas , Jäger Christian , Michalchuk Adam A. L. , Emmerling Franziska 
Published: April 2020

AbstractThe very strong Lewis acid aluminium chlorofluoride (ACF) was loaded with anhydrous HF. The interaction between the surface of the catalyst and HF was investigated using a variety of characterization methods, which revealed the formation of polyfluorides. Moreover, the reactivity of the HF‐loaded ACF towards the hydrofluorination of alkynes was studied.
Cu‐Catalyzed Reductive gem‐Difunctionalization of Terminal Alkynes via Hydrosilylation/Hydroamination Cascade: Concise Synthesis of α‐Aminosilanes
Authors: Nishino Soshi , Hirano Koji , Miura Masahiro 
Published: April 2020

AbstractA copper‐catalyzed reductive gem‐difunctionalization of terminal alkynes with hydrosilanes and hydroxylamines has been developed. The reaction proceeds via hydrosilylation/hydroamination cascade, and the readily available and simple terminal alkynes can be transformed into the corresponding α‐aminosilanes of medicinal interest in a single operation. Additionally, the use of chiral bisphosphine ligand successfully makes the reaction enantioselective to deliver the optically active α‐aminosilanes with good enantiomeric ratios.
Germline and somatic DNA repair gene alterations in prostate cancer
Authors: Dall’Era Marc A. , McPherson John D. , Gao Allen C. , DeVere White Ralph W. , Gregg Jeffrey P. , Lara Primo N. 
Published: April 2020

BackgroundEmerging evidence has suggested that DNA repair gene alterations may be important in prostate cancer pathogenesis. In the current study, the authors sought to characterize alterations in DNA repair pathway genes in both primary and metastatic prostate tumors with attention to tissue distribution as well as specific genomic alterations.MethodsThe authors studied the distribution and type of alterations in 24 genes that are considered important for DNA repair in 944 prostate cancers harvested from localized and metastatic tumors. Tumor DNA underwent hybrid capture for all coding exons of 287 or 395 cancer‐related genes plus select introns from 19 or 31 genes frequently rearranged in cancer. Captured libraries were sequenced to a median exon coverage depth of >×500. Specific genomic alterations were characterized and the frequencies of mutations by tissue site (prostate vs metastases) were compared using logistic regression.ResultsA total of 152 patients from the cohort of 944 men (16%) harbored a germline or somatic mutation in ≥1 DNA repair genes. The most frequently mutated genes were BRCA2 (11.4%) and ATM (5.8%), followed by MSH6 (2.5%) and MSH2 (2.1%). Mutations were identified in approximately 20.1% of primary prostate tumors compared with 18.8% of bone metastases. When stratified by tissue site, the highest rates of DNA repair mutations were found in solid organ metastases, including brain and visceral metastases, compared with prostate.ConclusionsDNA repair gene mutations are more common in metastatic than localized prostate tumors. Visceral and other solid organ metastases appear enriched for these mutations compared with localized tumors or bone and lymph node metastases.
Extra‐Terrestrial Gas‐Phase Stereoinversion in Amino Acid Leucine: Thermal and Photochemical Channels
Authors: Rani Namrata , Vikas  
Published: April 2020

AbstractEnantiomeric‐excess of the left‐handed enantiomer of proteinogenic amino acids has been reported in the meteoritic samples of carbonaceous chondrites. Such chiral‐bias is recently being believed due to the removal of right‐handed enantiomer through its selective destruction by circularly polarized ultraviolet (UV) radiations in interstellar space. The present work through quantum mechanical computations explores various thermal and photochemical channels for stereoinversion in proteinogenic amino acid Leucine, under the gas‐phase conditions akin to different temperature zones of interstellar medium (ISM). A thermochemical and kinetic analysis for the feasibility of the proposed channels is also carried out in different regions of ISM. The initiation of stereoinversion along all the ground‐state thermal channels is found to be restricted by a very high energy barrier which, however, is proposed to be substantially reduced if the initial step proceeds via an excited‐state. This work reveals that the stereoinversion in Leucine is quite feasible in ISM, provided it is initiated photochemically by UV radiations, which are abundant in ISM.
Valorization of Plastic Wastes for the Synthesis of Imidazolium‐Based Self‐Supported Elastomeric Ionenes
Authors: Demarteau Jeremy , O'Harra Kathryn E. , Bara Jason E. , Sardon Haritz 
Published: April 2020

AbstractImidazolium‐based ionenes are known to be high‐performance materials for a great variety of applications. The preparation of these polymers requires the use of bis‐imidazole starting monomers, which are commonly prepared by using toxic chloride reagents. In this study, bis‐imidazole monomers are synthesized by organocatalytic chemical recycling of discarded plastics through chemical depolymerization. By using poly(ethylene terephthalate) and bisphenol A polycarbonate as starting materials, different monomers containing amide or urea functionalities are prepared to produce high‐molecular‐weight ionic polymers. These novel ionenes show excellent elastomeric and self‐healing behavior, serving as a promising means to expand the exploration of plastic wastes as a source of new materials.
A new combination of adaptive channel estimation methods and TORC equalizer in MC‐CDMA systems
Authors: Zidane Mohammed , Dinis Rui 
Published: April 2020

SummaryAdaptive systems identification has been widely studied, but most studies have focused on the convergence of these methods. Applications of equalization systems have also received much attention. This paper presents a new combination of adaptive Broadband Radio Access Networks (BRAN) channel identification algorithms for multicarrier code division multiple access (MC‐CDMA) systems downlink equalization. In fifth‐generation (5G) wireless communications, MC‐CDMA is expected to support the associated networks. The BRAN E channel parameters, representing an outdoor scenario normalized for MC‐CDMA systems, are identified using a recursive least mean pth power algorithm with logarithmic transformation (RlogLMP). For validity and test aim, this algorithm is compared with the existing recursive least square (RLS) and least mean square (LMS) algorithms. Moreover, we use the estimated coefficients in the adaptive equalization problem. We give a review of the threshold orthogonality restoring combining (TORC) equalizer, which is coupled with the presented algorithms to counteract channel fading, as evaluated by the bit error rate (BER). Our performance results show that the RlogLMP algorithm can estimate the measured BRAN E channel with good efficiency for various values of the signal‐to‐noise ratio (SNR), as compared with the classical algorithms RLS and LMS. In adaptive equalization problems, the achieved results demonstrate that two thresholds ρTH in the TORC equalizer minimize the performance degradation, in terms of the BER, of the MC‐CDMA system under multipath channel fading with very good accuracy, especially if the coefficients are estimated with the specific case of the power p in the RlogLMP algorithm.
A comprehensive review of computational techniques for the prediction of drug side effects
Authors: Sachdev Kanica , Gupta Manoj K. 
Published: April 2020

AbstractDrugs refer to the chemical compounds that are consumed by the human body and induce a change by interacting with the protein targets. The drugs may induce favorable or unfavorable changes in the human body. The unfavorable changes that are elicited by the drugs in the human body are known as drug side effects. These side effects range from minor reactions like headache to serious reactions such as cardiac arrest, cancer, or even death. The drugs are tested for their side effects based on laboratory experiments. However, these experiments are costly as well as prolonged. An alternative to the laboratory experiments is provided through the computational methods. Many computational techniques for identifying the drug side effects have been developed in the recent past. This review aims to summarize the important studies and contributions in the field of drug side effect prediction by computational techniques. A description of the data sets related to drug side effects and the metrics used for the evaluation of drug side effect prediction methods have also been explained. This article also highlights the future research that can be undertaken in this field. To the best of our knowledge, this is the first extensive review of the computational methods that have been developed for drug side effect prediction.
Antiurolithiatic effects of pentacyclic triterpenes: The distance traveled from therapeutic aspects
Authors: Lobine Devina , Ahmed Salman , Aschner Michael , Khan Haroon , Mirzaei Hamed , Mahomoodally Mohamad F. 
Published: April 2020

AbstractGlobally, approximately 12% of the population is inflicted by various types of urolithiasis. Standard treatments are available both to avert and treat urolithiasis, but with significant adverse side effects. Pentacyclic triterpenes represent a group of naturally occurring compounds which holds immense potential as therapeutic for treating kidney stone. This review aims to provide an integrative description on how pentacyclic triterpenes can effectively treat calcium oxalate urolithiasis through various mechanisms such as antioxidant, anti‐inflammatory, diuretic, and angiotensin‐converting enzyme inhibition. Some of the pentacylic triterpenes which shows promising activities include lupeol, oleanolic acid, betulin, and taraxasterol. Moreover, future perspectives in the development of pentacyclic triterpenes in formulations/drugs for urinary stone prevention are highlighted. It is anticipated that compiled information would serve as a scientific baseline to advocate further investigations on the potential of pentacyclic triterpenes in urolithiasis remediation.