bluuebunny/crossref_metadata_2025_split huggingface dataset:
How Triceratops got its face: An update on the functional evolution of the ceratopsian head
Authors: Nabavizadeh Ali 
Published: March 2023

AbstractCeratopsian dinosaurs arguably show some of the most extravagant external cranial morphology across all Dinosauria. For over a century, ceratopsian dinosaurs have inspired a multitude of cranial functional studies as more discoveries continued to depict a larger picture of the enormous diversity of these animals. The iconic horns and bony frills in many ceratopsians portray a plethora of shapes, sizes, and arrangements across taxa, and their overall feeding apparatus show the development of unique specializations previously unseen in large herbivores. Here, I give a brief updated review of the many functional studies investigating different aspects of the ceratopsian head. The functional role of the horns and bony frills is explored, with an overview of studies investigating their potential for weaponization or defense in either intraspecific or anti‐predatory combat, among other things. A review of studies pertaining to the ceratopsian feeding apparatus is also presented here, with analyses of studies exploring their beak and snout morphology, dentition and tooth wear, cranial musculature with associated skull anatomy, and feeding biomechanics.
Computational Strategies for Entropy Modeling in Chemical Processes
Authors: Shin Wook , Yang Zhongyue J. 
Published: March 2023

AbstractComputational simulations of entropy are important in understanding the thermodynamic forces that drive chemical reactions on a molecular scale. In recent years, various algorithms have been developed and applied in conjunction with molecular modeling techniques to evaluate the change of entropy in solvation, hydrophobic interactions, and chemical reactions. The aim of this review is to highlight four specific computational entropy calculation methods: normal mode analysis, free volume theory, two‐phase thermodynamics, and configurational entropy modeling. The technical aspects, applications, and limitations of each method will be discussed in detail.
Selected ssDNA aptamers–graphene oxide‐based fluorescent biosensor to detect sulfameter in milk
Authors: He Yanping , Zhang Jingrui , Tian Ruifen , Lu Yuying , Pan Ling , Zhang Yuzhong 
Published: March 2023

AbstractThe abuse of sulfameter (SME) in animal husbandry can cause drug resistance and toxic or allergic reactions in humans. Therefore, it is very important to establish a simple, inexpensive, and efficient method for detecting SME in food. In this work, we propose a single fluorescent aptamer/graphene oxide (GO)‐based biosensor to detect SME residues in milk. Aptamers that specifically bind to SME were screened using capture‐SELEX and a ssDNA library immobilized on magnetic beads. The 68 active candidate aptamers were chemically synthesized for specificity and affinity characterization. Among the aptamers, the aptamer sulf‐1 revealed the highest affinity (Kd = 77 ± 15 nM) to SME and was selected to construct a GO‐based fluorescent biosensor for real milk sample detection. Under optimal conditions, the single fluorescent aptasensor had a wide linear range (R2 was 0.997) from 7 to 336 ng/ml and a low detection limit of 3.35 ng/ml that was calculated with a 3SD/slope. The single fluorescent method was also validated using SME‐fortified milk samples, showing average recoveries ranging from 99.01% to 104.60% with a relative standard deviation of less than 3.88%. These results demonstrate that this novel aptamer sensor provides an opportunity for sensitive, convenient, and accurate detection of SME residues in milk.
Correlation between ARID1B gene mutation (p.A460, p.V215G) and prognosis of high‐risk refractory neuroblastoma
Authors: Zhang Yi , Chen Moyi , Huang Dongsheng , Gu Huali , Yi You , Meng Xue 
Published: March 2023

AbstractIn a few reports, ARID1B/A mutation was found in neuroblastoma. We analyzed the clinical characteristics, clinical efficacy, and prognosis of three children with high‐risk refractory neuroblastoma (NB) with somatic ARID1B gene mutation. The whole exon sequencing results showed that there were involved in transcription, DNA synthesis, and repair of ARID1B gene mutations. All mutation sites were located in the promoter region of the exon: ARID1B (p.A460) mutation was found in cases 1 and 2, and ARID1B (p.V215G) mutation was found in cases 1 and 3. The nucleic acid site of ARID1B (p.A460) mutation was c.1379 (exon1) C > G, and the nucleic acid site of ARID1B (p.V215G) mutation was c.644 (exon1) T > G. The meningeal metastasis in case 1 turned negative after 4 cycles of intrathecal injection combined with chemotherapy. However, the child died of agranulocytosis combined with sepsis during the 5th cycle of chemotherapy. Case 2 achieved complete remission (CR). Case 3 achieved CR after chemotherapy, surgery, metaiodobenzylguanidine, and 3F‐8 (Naxitamab) immunotherapy after the initial diagnosis. The mediastinum and lymph node metastasis occurred during the 6‐month observation period after stopping treatment. He achieved very good partial remission after individualized chemotherapy and surgical treatment. ARID1B is a component protein of the SWI/SNF chromatin‐remodeling complex that participates in the occurrence of a variety of tumors by regulating DNA repair and synthesis. ARID1B nucleic acid mutation (p.A460, p.V215G) in the promoter region of three children may contribute to the poor prognosis of NB children.
Gender differences in percutaneous coronary intervention for chronic total occlusions from the ERCTO study
Authors: Avran Alexandre , Zuffi Andrea , Gobbi Cecilia , Gasperetti Alessio , Schiavone Marco , Werner Gerald S. , Kambis Mashayekhi , Boudou Nicolas , Galassi Alfredo R. , Sianos George , Idali Moussa , Garbo Roberto , Gagnor Andrea , Gasparini Gabriele , Bufe Alexander , Bryniarski Leszek , Kalnins Artis , Weilenmann Daniel , Wojcik Jaroslaw , Agostoni Pierfrancesco , Bozinovic Nenad Z. , Carlino Mauro , Furkalo Sergey , Hildick‐Smith David , Drogoul Laurent , Lemoine Julien , Serra Antonio , Carugo Stefano , Ungi Imre , Dens Joseph , Reifart Nicolaus , Cosma Joseph , Mallia Vincenzo , Vadalà Giuseppe , Biondi‐Zoccai Giuseppe , Di Mario Carlo 
Published: March 2023

AbstractBackgroundGender‐specific data addressing percutaneous coronary intervention (PCI) of chronic total occlusion (CTO) in female patients are scarce and based on small sample size studies.AimsWe aimed to analyze gender‐differences regarding in‐hospital clinical outcomes after CTO‐PCI.MethodsData from 35,449 patients enrolled in the prospective European Registry of CTOs were analyzed. The primary outcome was the comparison of procedural success rate in the two cohorts (women vs. men), defined as a final residual stenosis less than 20%, with Thrombolysis In Myocardial Infarction grade flow = 3. In‐hospital major adverse cardiac and cerebrovascular events (MACCEs) and procedural complications were deemed secondary outcomes.ResultsWomen represented 15.2% of the entire study population. They were older and more likely to have hypertension, diabetes, and renal failure, with an overall lower J‐CTO score. Women showed a higher procedural success rate (adjusted OR [aOR] = 1.115, confidence interval [CI]: 1.011–1.230, p = 0.030). Apart from previous myocardial infarction and surgical revascularization, no other significant gender differences were found among predictors of procedural success. Antegrade approach with true‐to‐true lumen techniques was more commonly used than retrograde approach in females. No gender differences were found regarding in‐hospital MACCEs (0.9% vs. 0.9%, p = 0.766), although a higher rate of procedural complications was observed in women, such as coronary perforation (3.7% vs. 2.9%, p < 0.001) and vascular complications (1.0% vs. 0.6%, p < 0.001).ConclusionsWomen are understudied in contemporary CTO‐PCI practice. Female sex is associated with higher procedural success after CTO‐PCI, yet no sex differences were found in terms of in‐hospital MACCEs. Female sex was associated with a higher rate of procedural complications.
Ventricular septal rupture after acute myocardial infarction in a patient with venous thromboembolism complicated by thrombocytopenia: A case report
Authors: Zhu Yuansong , Luo Suxin , Zeng Chun , Huang Bi 
Published: March 2023

AbstractA woman that suffered burns previously presented with leg swelling and was diagnosed with venous thromboembolism. Heparin was given until she suddenly developed myocardial infarction. Ventricular septal rupture was detected and managed by transcatheter closure. She developed massive bleeding and extensive thrombosis that made treatment paradoxical and eventually died.
Development of a soil moisture sensor‐based irrigation scheduling program for the midsouthern United States
Authors: Bryant Corey J. , Spencer G. Dave , Gholson Drew M. , Plumblee Michael T. , Dodds Darrin M. , Oakley Graham R. , Reynolds D. Zach , Krutz L. Jason 
Published: March 2023

AbstractThere is limited adoption of irrigation scheduling tools that could improve application timing and water use efficiency in row‐crop production systems common to the mid‐southern United States. The objectives of this manuscript are to describe a sensor‐based irrigation scheduling method and review its effects on water applied and crop productivity. The effects of scheduling irrigation based on the recommended construction, deployment, and utilization of the WATERMARK 200SS granular matrix (WATERMARK) sensor on water applied, crop productivity, and crop water use efficiency were reviewed for corn (Zea mays L.), soybean [Glycine max L. (Merr.)], peanut (Arachis hypogaea L.), and cotton (Gossypium hirsutum L.) produced in the Prairie region of Arkansas and the Delta regions of Arkansas and Mississippi. For corn and soybean, on‐farm research indicates the recommended irrigation threshold of −85 to −100 cbar reduces total water applied up to 40% while maintaining or improving yield up to 3%, net returns up to $39 acre−1, and irrigation water use efficiency up to 51% for soil textures ranging from very fine sandy loam to clay. Similarly, for peanut and cotton, results indicate the irrigation threshold that minimizes water use while maximizing yield and net returns is −50 cbar and −100 cbar, respectively. The recommended method for scheduling irrigations with a WATERMARK 200SS soil moisture sensor promotes the efficient use of water in row‐crop production systems common to the mid‐southern USA.
Quest of Quadruple Bonding Between Two Main‐Group Atoms in AeB− and AeC (Ae=Ca, Sr, Ba) and the Role of d Orbitals of Heavier Alkaline‐Earth Atoms in Covalent Interactions
Authors: Liu Yu‐qian , Wang Meng‐hui , Yan Bing , Li Lu , Pan Sudip , Cui Zhong‐hua , Frenking Gernot 
Published: March 2023

AbstractQuantum chemical calculations using ab initio methods at the MRCI+Q(6,8)/def2‐QZVPP and CCSD(T)/def2‐QZVPP levels as well as density functional theory are reported for the diatomic molecules AeB− and isoelectronic AeC (Ae=Ca, Sr, Ba). The boride anions AeB− have an electronic triplet (3Σ−) ground state. The quintet (5Σ−) state is 5.8–12.3 kcal/mol higher in energy and the singlet (1Δ) state is 13.1–15.3 kcal/mol above the triplet. The isoelectronic AeC molecules are also predicted to have a low‐lying triplet (3Σ−) state but the quintet (5Σ−) state is only 2.2 kcal/mol (SrC) and 2.9 kcal/mol (CaC) above the triplet state. The triplet (3Σ−) and quintet (5Σ−) states of BaC are nearly isoenergetic. All systems have rather strong bonds. The calculated bond dissociation energies of the triplet (3Σ−) state are between De=38.3–41.7 kcal/mol for AeB− and De=49.4–57.5 kcal/mol for AeC. The barium species have always the strongest bonds whereas the calcium and strontium compounds have similar BDEs. The bonding analysis indicates that there is little charge migration in AeB− in the direction Ae→B− where the alkaline earth atoms carry positive charges between 0.09 e–0.22 e. The positive charges at the Ae atoms are much larger in AeC where the charge migration Ae→C is between 0.90 e–0.91 e. A detailed analysis of the interatomic interactions with the EDA‐NOCV method shows that all diatomic species AeB− and AeC are built from dative interactions between Ae (1S, ns2) and B− or C (3P, 2 s22pπ12pπ′1). The eventually formed bonds in AeC are better described in terms of interactions between the ions Ae+ (2S, ns1)+C− (4S, 2 s22pπ12pπ′12pσ1). Inspection of the orbital interactions suggests that the alkaline earth atoms Ca, Sr, Ba use mainly their (n‐1)d AOs besides the (n)s AOs for the covalent bonds. This creates a second energetically low‐lying σ‐bonding MO in the molecules, which feature valence orbitals with the order ϕ1 (σ‐bonding)<ϕ2 (σ‐bonding)<ϕ3 (degenerate π‐bonding). All four occupied valence MOs of AeB− and AeC are bonding orbitals. Since the degenerate π orbitals ϕ3 are only singly occupied, the formal bond order is three.
Customizing the comonomer incorporation distribution in Ziegler–Natta‐based LLDPE: Harnessing the influences of the titanation temperature during catalyst synthesis and of polymerization process parameters
Authors: Göpperl Lukas , Pernusch Daniel Christian , Schwarz Julia Felicitas , Paulik Christian 
Published: March 2023

AbstractThe microstructure of linear low‐density polyethylene (LLDPE) is strongly influenced by short‐chain branches (SCBs) incorporated into the polymer backbone. Varying the number, distribution, and length of SCBs allows the properties of the resulting polymer to be tailored to meet specific requirements. Using Ziegler–Natta (ZN) catalysts for synthesis has disadvantages in terms of the comonomer incorporation distribution (CID) compared to, for instance, metallocene and post–metallocene catalysts. Nevertheless, ZN catalysts continue to be widely used, as many of the new generations of catalysts are more difficult to handle and cannot match the cheap cost of ZN catalysts. To improve this aspect of ZN catalysts, we investigated the influence of catalyst titanation temperature and polymerization process parameters on the CID. Our results show that it is possible to manipulate the process parameters of the present ZN catalyst system to yield a desired comonomer amount and CID in the polymer. Varying the titanation temperature clearly influenced the titanium content of the catalyst. Molecular‐weight distribution analysis and deconvolution results indicate that changes in the amounts of comonomer incorporated and in the CID are directly related to the catalyst's active site that produces the lowest‐molecular‐weight fraction.
An AND‐Gate DNA Nanodevice for Dual Protein‐Mediated, Tumor‐Specific Imaging
Authors: Fan Zetan , Yu Fangzhi , Yu Mingming , Li Lele 
Published: March 2023

Comprehensive SummarySensitive and specific imaging of tumor‐associated biomarkers offers an effective way for cancer diagnosis. However, most of the reported imaging probes are limited to the targeting of a single biomarker, which may impair imaging precision. Here, we report an aptamer‐based, AND‐gate DNA nanodevice that relies on the sequential processing of two tumor‐associated proteins to produce a specific fluorescent signal for precise tumor imaging. The DNA nanodevice integrates an AS1411 aptamer to bind cell surface nucleolin for tumor targeting and a DNA sensor to respond to intracellular apurinic/apyrimidinic endonuclease 1 for activatable imaging. We evaluated the performance of the system in both living cells and a tumor‐bearing mouse model, and demonstrated its capability in tumor cell‐specific imaging. We anticipate that this strategy will accelerate the design of multivariate protein‐stimulated probes for tumor diagnosis.
Incorporation of Trifluoromethyltriazoline in the Side Chain of 4‐Aminoquinolines: Synthesis and Evaluation as Antiplasmodial Agents
Authors: Yadav Kanchan , Sharma Anamika , Shaham Salique Hassan , Chandrasekharan Sanoop P , Kumar Sandeep , Dhami Anamika , Nasreen Hisana , Mohanan Kishor , Tripathi Renu 
Published: March 2023

AbstractReported herein is the identification of a novel class of 4‐aminoquinoline‐trifluormethyltriazoline compounds as possible antiplasmodial agents. The compounds were accessed through a silver‐catalyzed three‐component reaction of trifluorodiazoethane with in situ generated Schiff base from corresponding quinolinylamine and aldehydes. While attempting to incorporate a sulfonyl moiety, the triazoline formed underwent spontaneous oxidative aromatization to afford triazole derivatives. All synthesized compounds were tested for their antimalarial potential in vitro and in vivo. Out of 32 compounds, four showed the most promising antimalarial activity with IC50 values ranging from 4 to 20 nM against Pf3D7 (chloroquine‐sensitive) and from 120 to 450 nM against PfK1 (chloroquine‐resistant) strains. One of these compounds was also found to be effective in animal studies; it showed a 99.9 % decrease in parasitic load on day 7 post‐infection along with a 40 % cure rate and longest host life span.
CCITL: A cloud‐based smart traffic management protocol using intelligent traffic light system in VANETs
Authors: Gaouar Nihal , Lehsaini Mohamed , Nebbou Tawfiq 
Published: March 2023

SummaryRoad congestion and traffic jams are serious problems for drivers, causing them more delay in reaching their destinations. Motivated by these considerations, this article proposes an intelligent scheduling algorithm based on vehicular ad hoc networks (VANETs) and Cloud computing to schedule traffic lights to smooth road traffic and reduce waiting time on the road, called CCITL (cloud computing based intelligent traffic light protocol). In CCITL, we involve cloud computing by using conventional and vehicular clouds to have a global view of the road network and take advantage of the cloud computing capabilities to calculate the most appropriate traffic signal formulas and combinations with their phase durations in a dynamic way. This allows to ensure the fluidity of the traffic and the arrival at the destination in a short time while minimizing the waiting time on the different segments of the road network. Our proposed protocol has been developed and evaluated over OMNET++ simulator with the simulator of urban mobility (SUMO). The simulation results showed that CCITL greatly contributed to the alleviation of traffic congestion as well as to the reduction of the dwell time of vehicles in the different segments, thus reducing delays and waiting in intersections.
Fast Microwave‐Assisted Synthesis, Calcination and Functionalization of a Silica Mesoporous Nanomaterial: UVM‐7
Authors: Díaz de Greñu Borja , Muñoz‐Pina Sara , de los Reyes Ruth , Benitez Miriam , El Haskouri Jamal , Amorós Pedro , Ros‐Lis Jose V. 
Published: March 2023

AbstractWe report here, for the first time, the use of a solid state microwave source for the synthesis, calcination and functionalization of a UVM‐7 based hybrid mesoporous silica material. The synthesis of the UVM‐7 material is obtained in 2 min at low power (50 W) by the combination of a microwave irradiation and the atrane route. Moreover, it has been successfully calcined and functionalized in just 13 and 4 min respectively with microwave assisted procedures. A total synthesis comprising each individually optimized step, can be executed in only 4 h including work‐up, by contrast to a typical synthesis that comprises several days. Savings higher than one order or magnitude are obtained in time and energy. Our example is a proof of concept of the potential use of solid state microwave generators for the ultrafast on‐command preparation of hybrid nanomaterials due to their accurate control and accelerating properties.
Association of cardiovascular risk factors and blood biomarkers with cognition: The HABS‐HD study
Authors: Jiang Xiaqing , O'Bryant Sid E. , Johnson Leigh A. , Rissman Robert A. , Yaffe Kristine ,   The Health and Aging Brain Study (HABS‐HD) Study Team
Published: March 2023

AbstractIntroductionTo determine if cardiovascular risk factor (CVRF) burden is associated with Alzheimer's disease (AD) biomarkers and whether they synergistically associate with cognition.MethodsWe cross‐sectionally studied 1521 non‐demented Mexican American (52%) and non‐Hispanic White individuals aged ≥50 years. A composite score was calculated by averaging the z‐scores of five cognitive tests. Plasma β‐amyloid (Aβ) 42/40, total tau (t‐tau), and neurofilament light (NfL) were assayed using Simoa. CVRF burden was assessed using the Framingham Risk Score (FRS).ResultsCompared to low FRS (< 10% risk), high FRS (≥ 20% risk) was independently associated with increased t‐tau and NfL. High FRS was significantly associated with higher NfL only among Mexican American individuals. Intermediate or high FRS (vs. low FRS) were independently associated with lower cognition, and the association remained significant after adjusting for plasma biomarkers. Hypertension synergistically interacted with t‐tau and NfL (p < 0.05).DiscussionCVRFs play critical roles, both through independent and neurodegenerative pathways, on cognition.
Multiple domestication events explain the origin of Gossypium hirsutum landraces in Mexico
Authors: Vega Melania , Quintero‐Corrales Christian , Mastretta‐Yanes Alicia , Casas Alejandro , López‐Hilario Victorina , Wegier Ana 
Published: March 2023

AbstractSeveral Mesoamerican crops constitute wild‐to‐domesticated complexes generated by multiple initial domestication events, and continuous gene flow among crop populations and between these populations and their wild relatives. It has been suggested that the domestication of cotton (Gossypium hirsutum) started in the northwest of the Yucatán Peninsula, from where it spread to other regions inside and outside of Mexico. We tested this hypothesis by assembling chloroplast genomes of 23 wild, landraces, and breeding lines (transgene‐introgressed and conventional). The phylogenetic analysis showed that the evolutionary history of cotton in Mexico involves multiple events of introgression and genetic divergence. From this, we conclude that Mexican landraces arose from multiple wild populations. Our results also revealed that their structural and functional chloroplast organizations had been preserved. However, genetic diversity decreases as a consequence of domestication, mainly in transgene‐introgressed (TI) individuals (π = 0.00020, 0.00001, 0.00016, 0, and 0, of wild, TI‐wild, landraces, TI‐landraces, and breeding lines, respectively). We identified homologous regions that differentiate wild from domesticated plants and indicate a relationship among the samples. A decrease in genetic diversity associated with transgene introgression in cotton was identified for the first time, and our outcomes are therefore relevant to both biosecurity and agrobiodiversity conservation.