bluuebunny/crossref_metadata_2025_split huggingface dataset:
Factors associated with age at autism diagnosis in a community sample of Australian adults
Authors: Huang Yunhe , Arnold Samuel R. C. , Foley Kitty‐Rose , Lawson Lauren P. , Richdale Amanda L. , Trollor Julian N. 
Published: September 2021

AbstractAutism diagnosis in adulthood has become increasingly common due to a range of factors including changes in awareness, diagnostic criteria, and professional practices. Past research identified a range of demographic and autism‐related factors associated with autism diagnosis age in children. However, it is unclear whether these apply to autistic adults. This study aimed to examine predictors of autism diagnosis age in adults while controlling for current age and autistic traits. We used a cross‐sectional sample of 657 adults aged 15–80 from three self and carer‐report studies: the Australian Longitudinal Study of Autism in Adulthood (ALSAA), Study of Australian School‐Leavers with Autism (SASLA) and Pathways, Predictors and Impact of Receiving an Autism Spectrum Diagnosis in Adulthood (Pathways). Using hierarchical multiplicative heteroscedastic regression, we found that older current age and higher self‐reported autistic traits predicted older diagnosis age, and that female gender, lack of intellectual disability, language other than English, family history of autism, lifetime depression, and no obsessive–compulsive disorder predicted older diagnosis age beyond current age and autistic traits. The paradoxical relationship between high autistic traits and older diagnosis age requires further investigation. Based on these findings, we recommended strategies to improve autism recognition in women and people from non‐English‐speaking backgrounds. Future studies could extend the findings by examining the effects of childhood and adulthood socioeconomic status on adult diagnosis age.Lay SummaryWe studied the relationship between age at autism diagnosis and other characteristics in adults. We found that both older current age and higher autistic traits, female gender, language other than English, family history of autism, and history of depression were related to older age at diagnosis, while intellectual disability and history of obsessive–compulsive disorder were related to younger age at diagnosis. Our findings suggest more work is needed to help recognize autism in women and people from non‐English‐speaking backgrounds.
Evaluating the effect of cultivation conditions on palmitoleic acid‐rich lipid production by Scheffersomyces segobiensis DSM 27193
Authors: Zhou Xinhai , Bao Xinhui , Zhou Jie , Xin Fengxue , Zhang Wenming , Qian Xiujuan , Dong Weiliang , Jiang Min , Ochsenreither Katrin 
Published: September 2021

AbstractPalmitoleic acid (POA) is a valuable monounsaturated fatty acid but it is rarely found in high proportions in microbial lipids. Recently, the newly isolated oleaginous yeast Scheffersomyces segobiensis DSM 27193 has been confirmed to be able to accumulate >10% POA in its intracellular lipids. This study comprehensively investigated the effect of medium composition and cultivation conditions on POA‐rich lipid accumulation by this yeast. The results showed that the lipid content could be improved significantly in shake flask cultivations from 3.6% to 27.3% by using yeast extract as a nitrogen source. Increasing Mg2+ concentration from 0.04 to 0.16 g L−1 resulted in the formation of 15.3 g L−1 of biomass and 4.2 g L−1 of POA‐rich lipids. The initial pH, temperature, and inoculation size also influenced POA‐rich lipid production positively. Under optimal conditions, the highest lipid content of 31.7% with the highest POA content of 12.50% was achieved, corresponding to 5.3 g L−1 of lipids and 0.7 g L−1 of POA. Fermentation conducted in a 2.5 L bioreactor led to 28.1 g L−1 of biomass with 39.4% of lipid content, corresponding to 11.1 g L−1 of total lipids and 1.4 g L−1 of POA. These results suggest that this yeast could be a potentially well‐suited host for POA‐rich lipid production. © 2021 Society of Chemical Industry and John Wiley & Sons, Ltd
Comparison of tissue pharmacokinetics of esflurbiprofen plaster with flurbiprofen tablets in patients with knee osteoarthritis: A multicenter randomized controlled trial
Authors: Amemiya Masaki , Nakagawa Yusuke , Yoshimura Hideya , Takahashi Toru , Inomata Kei , Nagase Tsuyoshi , Ju Young‐Jin , Shimaya Masayuki , Tsukada Sachiyuki , Hirasawa Naoyuki , Koga Hideyuki 
Published: September 2021

AbstractThis open‐label, multicenter, prospective, randomized controlled trial aimed to determine the effectiveness of esflurbiprofen plaster (SFPP) and flurbiprofen tablets (FPTs) on knee osteoarthritis in patients scheduled for total knee arthroplasty by comparing the transfer of esflurbiprofen and flurbiprofen to tissues and fluids. Thirty‐eight patients were randomly assigned in a 1:1 ratio to receive SFPP or FPT. Both groups were then divided into four subgroups, according to whether they received the final dose of SFPP or FPT at 2, 7, 12, or 24 h before planned surgery. The primary endpoints were the esflurbiprofen concentrations in synovium, synovial fluid, and plasma. Areas under concentration–time curves (AUC0–24 h) of esflurbiprofen were calculated for each group. Pain was assessed using a numeric rating scale (NRS) 7 days before and immediately before surgery. The AUC0–24 h in the synovium were 4401.24 and 4862.70 ng·h/g in the SFPP and FPT groups, respectively. Maximum esflurbiprofen concentrations were observed in the synovium, synovial fluids, and plasma after SFPP application for 12 h. The NRS results indicated a long‐lasting effect of SFPP. The AUC of the synovial esflurbiprofen concentration of SFPP indicated that the SFPP is transferred to the synovium and synovial fluid in high concentration. The efficient deep‐tissue transfer of esflurbiprofen suggests that its pharmacokinetic characteristics differ from those of conventional topical NSAIDs. This study was prospectively registered in the Japan Registry of Clinical Trials (registration number: jRCTs031180228).
Preparation of cellulose‐based electrospun fluorescent nanofibres doped with perylene encapsulated in silica nanoparticles for potential flexible electronics
Authors: Hassabo Ahmed G. , Mohamed Amina L. , Khattab Tawfik A. 
Published: September 2021

AbstractNovel fluorescent nanofibres were developed via the electrospinning of chromophore‐doped cellulose. Two different perylene‐doped cellulose fluorescent fibres were fabricated using cellulose as a host material and perylene dye derivatives as active dopants. Fluorescent cellulose nanofibres were prepared via the electrospinning technique using two different perylene dyes, including perylene diimide and perylene mono‐imide sodium/potassium salts. The generated fluorescent silica nanoparticles exhibited diameters varying in the range 80–180 nm. The generated electrospun fluorescent nanofibrous structures displayed smooth surfaces with average diameters of 200–300 nm for cellulose comprising perylene diimide and sodium/potassium salts of perylene mono‐imide dyes, respectively, dispersed uniformly in the cellulose matrix. The generated fluorescent nanoparticles and nanofibres were characterized by different standard methods, including scanning electron microscopy (SEM), transmission electron microscopy (TEM), fluorescent optical microscope (FOM) and Fourier‐transform infrared spectra (FT‐IR). The fluorescence properties of the fabricated cellulose nanofibres were explored. Those fluorescent nanofibres pave the way for the development of promising textile fluorescence materials, such as flexible displays, photonics, and optical devices.
Spectroscopic investigation of CuxMg0.2−xZn0.8S (x = 0, 0.05, 0.10, 0.15) thin films for deep and dilute blue LED applications
Authors: V S Ganesha Krishna , Chattopadhyay Saikat , Misra Kamakhya Prakash , M G Mahesha 
Published: September 2021

AbstractThe effect of copper (Cu) doping on the luminescent properties of the spray deposited Mg0.2Zn0.8S thin films were investigated for the first time. The Mg0.2Zn0.8S film is an excellent luminescent material with strong blue emissions. In the current investigation, we doped Mg0.2Zn0.8S with Cu by taking (Cu + Mg) as 20 at% by keeping other element ratios constant. Among the different samples in the series, Cu0.05Mg0.15Zn0.8S has shown promising results with dark blue emission. Also, these films showed good structural formation with lower or no other impurities, which is evident from the X‐ray diffraction (XRD). Scanning electron microscopy (SEM), energy‐dispersive X‐ray spectroscopy (EDX) and atomic force microscopy (AFM) confirmed the improved material quality of Cu0.05Mg0.15Zn0.8S as compared to the pristine. Raman and X‐ray photoelectron spectroscopy (XPS) studies have been carried out for the samples. Various defects induced in the films were investigated by recording the photoluminescence (PL) spectra and Cu:(Mg0.2Zn0.8S) films exhibited the capability to produce dilute blue luminescence by absorbing ultraviolet (UV) light. The Cu0.05Mg0.15Zn0.8S film showed promising material property, which is suitable for light‐emitting diode (LED) applications.
A simple fluorescent assay for the detection of peptide nucleic acid‐directed double strand duplex invasion
Authors: Heidari Ali , Hermann Mason , Hudson Robert H. E. 
Published: September 2021

AbstractPeptide nucleic acid (PNA) is a mimic of nucleic acids that is able to bind complementary oligonucleotides with high affinity and excellent selectivity. As such, the use of PNA has been proposed in numerous applications in biochemistry, medicine, and biotechnology. Sequences of pseudo‐complementary PNAs containing diaminopurine (D)‐2‐thiouracil (SU) base pairs bind to complementary regions within double‐stranded DNA targets. This type of binding is termed “double duplex invasion” and involves unwinding of the duplex accompanied by simultaneous hybridization of both DNA strands by the two pseudo‐complementary PNAs. In this study, a simple method of assaying DNA strand invasion by pseudo‐complementary PNAs was developed. This method is based on the incorporation of a single fluorescent cytidine analog, phenylpyrrolocytidine (PhpC), into the double‐stranded DNA target such that upon invasion by PNA, the PhpC is displaced to a single‐stranded region resulting in the turn‐on of fluorescence emission. This fluorescent assay is applicable to studies both at equilibrium and approach‐to‐equilibrium (time‐dependent) conditions.
Study of the Ribavirin drug adsorption on the surfaces of carbon nanotube and graphene nanosheet using density functional theory calculations
Authors: Sheikhi Masoome , Shahab Siyamak , Balali Ebrahim , Alnajjar Radwan , Kaviani Sadegh , Khancheuski Maksim , Al Saud Sultan 
Published: September 2021

AbstractDensity functional theory (DFT) and time‐dependent density functional theory (TD‐DFT) calculations were performed in the solvent water for the study of the adsorption of the Ribavirin (RIB) on surfaces of the carbon nanotube (CNT) and graphene nanosheet (GNS). After the adsorption, the electronic properties of the CNT and GNS change. The adsorption energies are shown the strong adsorption in GNS/RIB (−0.816 eV) rather than CNT/RIB (0.544 eV). The dipole moment of CNT and GNS changes with the adsorption of the RIB from 0.00 to 4.57 and 7.05 Debye in CNT/RIB and GNS/RIB, respectively. The adsorption of the RIB molecule on CNT and GNS increases the value of λmax. The localized orbital locator and electron location function values for the CC bond confirm the stronger interaction between carbon atoms of GNS and RIB. Based on the results, it is suggested that GNS with a lower energy gap (3.03 eV) is a more suitable structure for adsorption of the RIB in comparison with the CNT (3.021).
Insight into the histidine tautomerism effect on heterodimers of Aβ40
Authors: Li Hao , Salimi Abbas , Burnea Francis Kirby B. , Shi Hu , Lee Jin Yong 
Published: September 2021

AbstractThe intrinsic origin of amyloid aggregation has been pursued as a new pathogenesis for Alzheimer's disease (AD). The aggregation mechanisms influenced by histidine tautomerism were previously investigated in Aβ40 and Aβ42 monomers. In the present study, we focus on the structural properties of Aβ40 heterodimer under the influence of histidine. The results of molecular dynamics simulation detected different aggregation trends were detected in different heterodimers formed by the εεε isomer and other isomers. In the (εεε:δδδ) dimer, the highest β‐sheet content was obtained in the δδδ chain, which is in agreement with our previous studies that δδδ monomer is the most easily formed β‐sheet secondary structure in the monomer. Further analysis confirmed that (εεε:δδδ) dimers more easily aggregate into fibrils in comparison with other heterodimers. This research will help in understanding the tautomeric effect on Aβ heterodimers, thereby helping to figure out the pathogenesis of AD.
The Role of Spike Protein Mutations in the Infectious Power of SARS‐COV‐2 Variants: A Molecular Interaction Perspective
Authors: Gómez Santiago A. , Rojas‐Valencia Natalia , Gómez Sara , Cappelli Chiara , Restrepo Albeiro 
Published: September 2021

AbstractSpecific S477N, N501Y, K417N, K417T, E484K mutations in the receptor binding domain (RBD) of the spike protein in the wild type SARS‐COV‐2 virus have resulted, among others, in the following variants: B.1.160 (20A or EU2, first reported in continental Europe), B1.1.7 (α or 20I501Y.V1, first reported in the United Kingdom), B.1.351 (β or 20H/501Y.V2, first reported in South Africa), B.1.1.28.1 (γ or P.1 or 20J/501Y.V3, first reported in Brazil), and B.1.1.28.2 (ζ, or P.2 or 20B/S484K, also first reported in Brazil). From the analysis of a set of bonding descriptors firmly rooted in the formalism of quantum mechanics, including Natural Bond Orbitals (NBO), Quantum Theory of Atoms In Molecules (QTAIM) and highly correlated energies within the Domain Based Local Pair Natural Orbital Coupled Cluster Method (DLPNO‐CCSD(T)), and from a set of computed electronic spectral patterns with environmental effects, we show that the new variants improve their ability to recognize available sites to either hydrogen bond or to form salt bridges with residues in the ACE2 receptor of the host cells. This results in significantly improved initial virus⋅⋅⋅cell molecular recognition and attachment at the microscopic level, which trigger the infectious cycle.
Lagophthalmos of the upper eyelid after rhinoplasty: A case report
Authors: Jahandideh Hesam , Dehghani Firouzabadi Fatemeh , Dehghani Firouzabadi Mohammad , Roomiani Maryam 
Published: September 2021

AbstractLagophthalmos is an inability to close the eyelids which can result from many causes. Septorhinoplasty surgery is an uncommon reason for that. This paper reports the lagophthalmos complication, after a septorhinoplasty surgery.
Malignant carcinoma and skin melanoma neoplasms concomitantly in the thyroid
Authors: Al‐Harake Ali , Dandache Israa , Moukadem Hiba , Saliba Marwan , Chahine Jimmy , Yazbeck Hosni , Abdel‐Sater Fadi , Karnib Hussein , Younes Mahmoud H. 
Published: September 2021

AbstractMalignant melanomas metastatic to the thyroid gland are uncommon. Based on microscopy and DNA methylation profile, we report a rare coexistence of neoplasms in the thyroid, presumably in our case, with relapse‐free condition on adjuvant therapy.
Isolated torsion of the fallopian tube associated with hydrosalpinx in a 17‐year‐old sexually inactive girl: A case report
Authors: Daniilidis Angelos , Charitidou Sonia , Petousis Stamatios , Margioula‐Siarkou Chrysoula , Liberis Anastasios , Dinas Konstantinos 
Published: September 2021

AbstractIsolated tubal torsion is an unusual cause of acute abdominal pain in young sexually inactive patients. However, it should be still taken into account regarding the differential diagnosis of such conditions.
Stable Pd(0) Complexes with Ferrocene Bisphosphanes Bearing Phosphatrioxaadamantyl Substituents Efficiently Catalyze Selective C‐H Arylation of Benzoxazoles by Aryl Chlorides
Authors: Horký Filip , Císařová Ivana , Štěpnička Petr 
Published: September 2021

AbstractVersatile applications and unique performance of 1,1’‐bis(diphenylphosphanyl)ferrocene (dppf) in coordination chemistry and catalysis prompted the search for its analogs. This contribution describes the synthesis of the first donor‐unsymmetric dppf congeners bearing bulky and rigid 1,3,5,7‐tetramethyl‐2,4,6‐trioxa‐8‐phosphaadamantyl (CgP) donor groups, viz. Ph2PfcPCg (1) and Ph2PfcCH2PCg (2; fc=ferrocene‐1,1’‐diyl). Bis‐phosphanes 1 and 2 were converted into air‐stable Pd(0) complexes, [Pd(ma)(L^L)] (L^L=1 and 2; ma=maleic anhydride). Together with [Pd(ma)(dppf)], these complexes were applied as catalysts in Pd‐catalyzed C−H arylation of benzoxazoles with aryl chlorides in n‐butanol as an environmentally benign solvent. Among all catalysts tested in this study, complex [Pd(ma)(2)] performed the best, providing a high‐yield and selective synthesis of 2‐arylbenzoxazoles from a range of the generally less reactive chloroarenes at low catalyst loading (typically 1 mol.%). Under similar conditions, the structurally related heterocycles (e. g., 1‐methylbenzimidazole and benzothiazole) did not react.
Standing on the Shoulders of Giants – Your Mentors and Role Models Will Shape Your Career
Authors: García‐Martínez Javier 
Published: September 2021

AbstractChoosing the right mentors and role models has a profound impact in both our lives and professional careers; however, most often, not enough time or thought is given to this important decision. Because of that, we may miss some great opportunities and limit the potential benefits. In this invited contribution, I share my personal experience on nurturing the relationship with mentors and on choosing role models with my same values and a strong sense of service.
An Isolable Three‐Coordinate Germanone and Its Reactivity
Authors: Zhao Xuan‐Xuan , Szilvási Tibor , Hanusch Franziska , Inoue Shigeyoshi 
Published: September 2021

AbstractA rare three‐coordinate germanone [IPrN]2Ge=O (IPrN=bis(2,6‐diisopropylphenyl)imidazolin‐2‐imino) was successfully isolated. The germanone has a rather high thermal stability in arene solvent, and no detectable change was observed at 80 °C for at least one week. However, high thermal stability of [IPrN]2Ge=O does not prevent its reactivity toward small molecules. Structural analysis and initial reactivity studies revealed the highly polarized nature of the terminal Ge=O bond. Besides, the addition of phenylacetylene, as well as O‐atom transfer with 2,6‐dimethylphenyl isocyanide make it a mimic of nucleophilic transition‐metal oxides. Mechanism for O‐atom transfer reaction was investigated via DFT calculations, which revealed that the reaction proceeds via a [2+2] cycloaddition intermediate.
A Water Molecule Triggers Guest Exchange at a Mono‐Zinc Centre Confined in a Biomimetic Calixarene Pocket: A Model for Understanding Ligand Stability in Zn Proteins
Authors: Brunetti Emilio , Marcelis Lionel , Zhurkin Fedor E. , Luhmer Michel , Jabin Ivan , Reinaud Olivia , Bartik Kristin 
Published: September 2021

AbstractInvited for the cover of this issue are Kristin Bartik, Olivia Reinaud and co‐workers at the Université libre de Bruxelles and Université Paris Descartes. The image depicts a Zn protein and highlights the role that a single water molecule can play in catalysing ligand exchange. Read the full text of the article at 10.1002/chem.202102184.
Altered Peptide Self‐Assembly and Co‐Assembly with DNA by Modification of Aromatic Residues
Authors: Feng Ruilu , Ni Rong , Chau Ying 
Published: September 2021

AbstractAromatic residues are widely used as building blocks for driving self‐assemblies in natural and designer biomaterials. The noncovalent interactions involving aromatic rings determine proteins’ structure and biofunction. Here, we studied the effects of changes in the proximity of the aromatic rings in a self‐assembling peptide for modulating interactions involving the aromatic residues. By changing the distance between the aromatic ring and peptide backbone and replacing the side chain with a sulfur atom, we altered the nanostructures and gene transfection efficiency of peptide‐DNA co‐assemblies. This study demonstrates the significance of subtle alterations in aromatic interactions and facilitates deeper understanding of the aromatic‐involving interactions.
Clinical and cytopathological features of suspected thyroglossal duct cysts and neoplasms arising from them: A large series from a referral cancer center
Authors: Hou Tieying , Liu Zhonghua , Gan Qiong , Debnam J. Matthew , Krishnamurthy Savitri 
Published: September 2021

BackgroundThyroglossal duct cysts (TGDCs) are the most common congenital midline cystic lesions in the neck, and they are often evaluated by fine‐needle aspiration. Recognizing the cytomorphologic features of TGDCs and their mimics is important for clinical management.MethodsThis study examined the clinical, radiological, and cytopathological features of 86 ultrasonography‐guided fine‐needle aspiration (US‐FNA) specimens from clinically suspected TGDCs or malignancies arising from TGDCs and correlated the findings with surgical follow‐up and/or imaging studies.ResultsAccording to ultrasound examinations of 66 lesions, 17 (25.8%) were cystic, 8 (12.1%) were cystic with septations, 21 (31.8%) were cystic with solid nodules, and 20 (30.3%) were solid or cystic with internal debris. Cytopathologically, 81 lesions (94%) were categorized as benign, 2 (2%) were categorized as atypical, and 3 (3%) were categorized as malignant. In benign lesions, proteinaceous material (63%), histiocytes (63%), colloid (37%), squamous cells (35%), columnar cells (32%), follicular cells (15%), inflammatory cells (9%), and multinucleated giant cells (9%) were noted. Diagnoses in the benign category included TGDC in 64 patients (75%), TGDC or mimics (colloid nodule/epidermoid cyst) in 14 patients (17%), a colloid nodule in 1 patient, and thyroiditis in 1 patient. Surgical resection, performed in 23 patients, confirmed TGDCs in 12, benign mimics in 7, and carcinoma in 4.ConclusionsCytopathological features, in conjunction with imaging, allowed a definite diagnosis of TGDC in most patients (75%). The presence of mature squamous cells, thyroid follicular cells, with or without colloid and/or lymphocytes alone allowed a differential diagnosis of TGDC and its mimics in 17%. US‐FNA findings could not distinguish primary carcinomas arising from TGDCs from metastatic tumors.
USVs‐Sim: A general simulation platform for unmanned surface vessels autonomous learning
Authors: Wang Wei , Zhang Han , Li Yang , Zhang Zhenyu , Luo Xiangfeng , Xie Shaorong 
Published: September 2021

AbstractUnmanned surface vessels (USVs) have been fully used in the civilian and military fields in recent years, which dramatically expands protective capability and detection range. However, the marine environment's complexity and variability make that verification of various advanced USVs control algorithms face high costs and high risks. In this article, we present USVs‐Sim, a novel high‐fidelity general simulation platform for USVs autonomous navigation data generation and control strategy testing. USVs‐Sim is a collection of high‐level extensible modules that allows the rapid development and testing of USVs configurations and facilitates the construction of complex ocean scenarios. USVs‐Sim supports the steering or thrusting limits of USVs, as well as unique dynamics profiles. The platform can specify specific USVs sensor systems and change the time of day and weather conditions to generate robust data. USVs‐Sim facilitates training of deep‐learning algorithms by enabling data export from USVs sensors, including vision data, lidar, relative positions of ocean targets. Therefore, USVs‐Sim allows for the rapid prototyping, development, and testing of USVs autonomous control algorithms in a complex marine environment. In this article, we detail the general simulation platform and testing several representative USVs intelligent control algorithms on the platform.