bluuebunny/crossref_metadata_2025_split huggingface dataset:
Adsorption, Stretching, and Breaking Processes in Single‐Molecule Conductance of para‐Benzenedimethanethiol in Gold Nanogaps: A DFT‐NEGF Theoretical Study**
Authors: Guan Si‐Yuan , Cai Zhuan‐Yun , Liu Jia , Pang Ran , Wu De‐Yin , Ulstrup Jens , Tian Zhong‐Qun 
Published: February 2021

AbstractElectrical and mechanical properties of gold‐para‐benzenedimethanethiol (BDMT)‐gold molecular junctions with different binding configurations have been investigated using density functional theory (DFT) combined with a non‐equilibrium Green's function (NEGF) approach. We first determined the most stable structure in total electronic energy by geometry optimization of the molecular junction. We then studied how different stretching processes affect the conductance and the stretching forces. Particularly, two stretching modes can bring about different conductance behavior. When only a single‐end molecular contact in interfacial configurations at the top and bridge sites is stretched, the molecular conductance first decreases exponentially. This is followed by a flat platform, and finally produced an abrupt conductance drop from the fracture of interfacial chemical bond Au−Au. In the junction with a double‐end stretching mode, the fracture of Au−S bond occurs either between the sulfur‐bonded gold atom and the underlying Au surfaces, or at either of the two Au−S bonds in the double‐end stretching mode at the top‐pyramidal site. The latter interfacial structure consists of a four‐Au‐atom pyramidal structure adsorbed on gold surface, resulting in a sharp conductance increase just before complete fracture. This is closely associated with resonance tunneling of beta spin electrons in the critical fracture state of interfacial Au−S bonds in gold‐BDMT‐gold molecular junction.
Renewable Power‐to‐Gas: A Technical and Economic Evaluation of Three Demo Sites Within the STORE&GO Project
Authors: Schlautmann Ruth , Böhm Hans , Zauner Andreas , Mörs Friedemann , Tichler Robert , Graf Frank , Kolb Thomas 
Published: February 2021

AbstractFor a successful energy transition, Power‐to‐Gas (PtG) offers the opportunity to convert renewable electricity to substitute natural gas. This renewable synthetic natural gas (SNG) can be used for long‐term storage, transport, or can be integrated into other energy sectors. Main challenges for the commercial application of PtG are to achieve a high PtG process efficiency, dynamic operation capability, and low investment and production costs. Within the STORE&GO project, three demo sites were developed, operated, and evaluated. An overall efficiency of > 75 % is possible, the SNG production costs are expected to drop to less than 10 €‐Cent kWh−1 in 2050.
Chelating Guanidinates for Dysprosium(III) Single‐Molecule Magnets†
Authors: Jin Peng‐Bo , Yu Ke‐Xin , Zhai Yuan‐Qi , Luo Qian‐Cheng , Wang Yi‐Dian , Zhang Xu‐Feng , Lv Yi , Zheng Yan‐Zhen 
Published: February 2021

Main observation and conclusionTwo chelating guanidinate‐based dysprosium(III) complexes, namely the monomeric {(Me3Si)2NC(NiPr)2}2Dy(μ‐Cl)2Li(THF)2 1 and the dimeric [{(Me3Si)2NC(NiPr)2}2Dy(μ‐Cl)]2 2, have been confirmed to be single‐molecule magnets. Moreover, the alteration from 1 to 2 leads to an obvious mitigated quantum tunnelling of magnetization at zero field of the hysteresis loop and much enhanced magnetic relaxation barrier (up to 312 K). 5% dilution with the yttrium(III) analogue for 2 shows no clear change for the hysteresis, indicating the single‐ion nature of the magnetic behavior.
Divergent Synthesis of N‐Heterocycles by Merging Borane‐Mediated Cyclopropane Ring‐Opening and Hydride Abstraction
Authors: Zhang Zi‐Yu , Ren Jie , Zhang Ming , Xu Xiu‐Fang , Wang Xiao‐Chen 
Published: February 2021

Main observation and conclusionHerein, we report the synthesis of N‐heterocycles by borane‐catalyzed dehydrogenative cyclization of 2‐cyclopropyl‐N,N‐dimethylanilines. Borane‐mediated cyclopropane ring‐opening and borane‐mediated hydride abstraction from an N‐methyl group are the key steps. The substituent at the cyclopropyl unit was found to greatly influence the reaction pathway and thus determined the major reaction product.
Research Progress on Zero Discharge and Resource Utilization of Industrial High‐Salt Wastewater
Authors: Liu Dan , Liu Qiongqiong , Zhang Yan 
Published: February 2021

AbstractWith the continuous expansion of industrial enterprises, a large amount of difficult‐to‐treat high‐salt wastewater with complex components is produced. If it is not treated properly and discharged directly, it can not only be a wasted resource but also cause great damage to the ecological environment. Therefore, how to achieve zero discharge and resource utilization, reduce the treatment cost, and the generation of secondary pollution have become the bottlenecks that need to be broken through in current wastewater treatment. Among many methods, the concentrated crystallization coupling technology has broad development and application prospects due to its advantages such as low energy consumption, green economy, and high purity of salt‐separated products. Combining with source and composition of high‐salt wastewater, the research progress of wastewater treatment technology is reviewed, and its actual application status is analyzed, to provide a certain reference for the further resource treatment of high‐salt wastewater and the realization of true zero discharge in the future.
Cortisol promotes breast‐to‐brain metastasis through the blood‐cerebrospinal fluid barrier
Authors: Herrera Robert A. , Deshpande Krutika , Martirosian Vahan , Saatian Behnaz , Julian Alex , Eisenbarth Rachel , Das Diganta , Iyer Mukund , Neman Josh 
Published: February 2021

AbstractBackgroundElevated basal cortisol levels are present in women with primary and metastatic breast cancer. Although cortisol's potential role in breast‐to‐brain metastasis has yet to be sufficiently studied, prior evidence indicates that it functions as a double‐edged sword—cortisol induces breast cancer metastasis in vivo, but strengthens the blood‐brain‐barrier (BBB) to protect the brain from microbes and peripheral immune cells.AimsIn this study, we provide a novel examination on whether cortisol's role in tumor invasiveness eclipses its supporting role in strengthening the CNS barriers. We expanded our study to include the blood‐cerebrospinal fluid barrier (BCSFB), an underexamined site of tumor entry.Methods and ResultsUtilizing in vitro BBB and BCSFB models to measure barrier strength in the presence of hydrocortisone (HC). We established that lung tumor cells migrate through both CNS barriers equally while breast tumors cells preferentially migrate through the BCSFB. Furthermore, HC treatment increased breast‐to‐brain metastases (BBM) but not primary breast tumor migratory capacity. When examining the transmigration of breast cancer cells across the BCSFB, we demonstrate that HC induces increased traversal of BBM but not primary breast cancer. We provide evidence that HC increases tightness of the BCSFB akin to the BBB by upregulating claudin‐5, a tight junction protein formerly acknowledged as exclusive to the BBB.ConclusionOur findings indicate, for the first time that increased cortisol levels facilitate breast‐to‐brain metastasis through the BCSFB—a vulnerable point of entry which has been typically overlooked in brain metastasis. Our study suggests cortisol plays a pro‐metastatic role in breast‐to‐brain metastasis and thus caution is needed when using glucocorticoids to treat breast cancer patients.
LRRK2 inhibition potentiates PARP inhibitor cytotoxicity through inhibiting homologous recombination‐mediated DNA double strand break repair
Authors: Chen Lifeng , Hou Jing , Zeng Xiangyu , Guo Qiang , Deng Min , Kloeber Jake A , Tu Xinyi , Zhao Fei , Wu Zheming , Huang Jinzhou , Luo Kuntian , Kim Wootae , Lou Zhenkun 
Published: February 2021

AbstractPARP inhibitors induce DNA lesions, the repair of which are highly dependent on homologous recombination (HR), and preferentially kill HR‐ deficient cancers. However, cancer cells have developed several mechanisms to transform HR and confer drug resistance to PARP inhibition. Therefore, there is a great clinical interest in exploring new therapies that induce HR deficiency (HRD), thereby sensitizing cancer cells to PARP inhibitors. Here, we found that GSK2578215A, a high‐selective and effective leucine‐rich repeat kinase 2 (LRRK2) inhibitor, or LRRK2 depletion suppresses HR preventing the recruitment of RAD51 to DNA damage sites through disruption of the interaction of RAD51 and BRCA2. Moreover, LRRK2 inhibition or depletion increases the susceptibility of ovarian cancer cells to Olaparib in vitro and in vivo. In clinical specimens, LRRK2 high expression is high related with advanced clinical characteristics and poor survival of ovarian cancer patients. All these findings indicate ovarian cancers expressing high levels of LRRK2 are more resistant to treatment potentially through promoting HR. Furthermore, combination treatment with an LRRK2 and PARP inhibitor may be a novel strategy to improve the effectiveness of LRRK2 expression ovarian cancers.
Deep learning for load balancing of SDN‐based data center networks
Authors: Babayigit Bilal , Ulu Banu 
Published: February 2021

SummaryWith the development of new communication technologies, the amount of data transmission has increased gradually. To satisfy this increasing computing resource demand effectively, the number of data center networks (DCNs), which are structures composed of servers connected with well‐organized‐switches, has increased worldwide. However, traditional switches do not efficiently satisfy the needs of DCNs. In recent years, an emerging networking architecture software‐defined network (SDN) has been proposed to manage the DCNs to control network switches and to deploy new network protocols. However, the main challenge in DCNs is to balance the load among servers. One potential solution for this challenge is to use machine learning (ML) techniques to tackle network transmission demand. A recent successful ML technique is deep learning (DL) which makes prediction, classification, and decisions by handling large amounts of data. Although DL has drawn increasing attention in many research fields, its applications to networking problems are scarce. In this paper, a DL technique is proposed for the load‐balancing of SDN‐based DCNs. To train the DL network, the variable load values among links are used. The response time for load balancing of the DL technique is compared with those of different ML algorithms, such as an artificial neural network (ANN), support vector machine (SVM), and logistic regression (LR). The experimental results reveal that the response‐time results of ANN and DL are lower than those of the SVM and LR algorithms. Also, DL accuracy is higher than ANN accuracy. As a result, DL is very efficient for the load balancing of SDN‐based DCNs.
How far will you go before switching hands? Handedness on the long pegboard across the lifespan
Authors: Scharoun Benson Sara M. , Williams Nicole , Tucker Jessica , Bryden Pamela J. 
Published: February 2021

AbstractHandedness is a significant behavioral asymmetry; however, there is debate surrounding the age at which hand preference develops, and little research has been conducted on handedness in older adults. The current study examined performance on the long pegboard, to identify similarities and differences in young children (ages 4–7 years), older children (ages 8–12 years), young adults (ages 18–25 years), and older adults (ages 70+ years). Average time per hole, number of hand switches, and errors were assessed with left‐ and right‐hand starts. A left‐right ratio was computed from the long pegboard, along with laterality quotients from the Waterloo Handedness Questionnaire (WHQ). Results revealed faster performance when participants started the task on the right side of the long pegboard with the right‐hand, coupled with a later switch to the left‐hand. There was a greater number of errors with left‐hand starts, and an earlier switch to the right‐hand. Age was a significant predictor of the average time per hole and number of errors. Long pegboard ratio and WHQ laterality quotient were only correlated for adults. Together, findings offer insight regarding age‐related effects in handedness and support the long pegboard as a useful measure of handedness.
Analysis of mixed convection in an inclined square cavity using nanofluids with Vajjha and Das' nanofluid model
Authors: Shamadhani Begum A. , Chamkha Ali J. 
Published: February 2021

AbstractIn this article, the effects of angle of inclination on heat transfer by mixed convection have been analyzed numerically in a square cavity packed with a CuO nanofluid. Cavity boundaries are constructed by having sinusoidal varying temperature on sidewalls, inactive horizontal walls, and the hot passing plate at the center of the cavity. The transport equations for fluid and heat are solved using the finite‐volume method with SIMPLE algorithm. The Richardson number (Ri) varying from 0.01 to 100, inclination angle (γ) from 0° to 90°, wall speed ratios (λ) from 0 to 3 and volume fraction of nanoparticles (φ) from 0.0 to 0.1 are given and represented in the form of flow fields, temperature fields, and mean heat transfer graphs. It is detected that the principal flow constraints have a substantial impact on the flow lines and thermal lines. Specifically, the structures of cavity inclination, existence of copper nanoparticles, and the hot wall in motion at the midpoint of the cavity are established to enrich the overall rate of heat transfer. Correspondingly, in the present study, the Vajjha and Das model is taken into account for the effective thermal conductivity and viscosity of the nanofluid; application of this model is beneficial for the industries working in a high‐temperature environment.
Optimization of an effective quick coupling valve for pressurized irrigation*
Authors: Gharebaghi P. , Ahmadi H. , Hemmati M. , Rezaverdinejad V. 
Published: February 2021

AbstractQuick coupling valves are commonly used to make an easy and quick connection/disconnection of a sprinkler to/from the supporting pipeline. However, significant headloss occurs during the operation of the irrigation system by this valve. In the present study, water flow through a standard quick coupling valve was numerically modelled by computational fluid dynamics (CFD). In addition, different turbulence models were run to determine the effect of any component of the valve on flow characteristics. Comparison between numerical and observed data from the experiments on the prototype confirmed the validity of standard k‐ε as a high precision model. Three‐dimensional numerical simulation of the steady‐state flow under different rates of flow showed that the spring had the least negative effect among the installed components inside the quick coupling valve. On the other hand, the body length of the valve, especially the length of the inlet part of the valve, played the main role in the pressure drop. Unexpectedly, the installed sealing O‐ring reduced the headloss. Moreover, an effective modification was carried out on the components of an ordinary valve by increasing by 20 mm the length of the valve from the inlet side and modifications in trim elements. Finally, the findings revealed that 50% of headloss occurred in the developed valve compared to the ordinary type regardless of the flow rate.
A multivariate assessment of climate change projections over South America using the fifth phase of the Coupled Model Intercomparison Project
Authors: Thaler Valerie , Loikith Paul C. , Mechoso C. Roberto , Pampuch Luana Albertani 
Published: February 2021

AbstractThis study presents results from an assessment of climate change projections over South America using fifth phase of the Coupled Model Intercomparison Project models. Change in near‐surface temperature, precipitation, evapotranspiration, integrated water vapour transport (IVT), sea level pressure (SLP), and wind at three pressure levels is quantified across the multi‐model suite. Additionally, model agreement for the sign and significance of projected change is assessed within the ensemble. Models are in strong agreement that the highest magnitude of projected warming will be over tropical regions. The CMIP5 models project a decrease in precipitation for all seasons over southern South America, especially along the northern portions of the present‐day mid‐latitude storm track. This is consistent with a robustly projected poleward shift of the Pacific extratropical high‐pressure system and mid‐latitude storm track indicated by a systematic increase in SLP and decrease in westerly wind magnitude over the region. Decreased precipitation for the months of September, October, and November is also projected, with strong model agreement, over portions of northern and northeastern Brazil, coincident with decreases in SLP and increases in evapotranspiration. IVT is broadly projected to decrease over southern South America, coincident with the projected poleward shift of the mid‐latitude storm track, with increases projected in the vicinity of the South Atlantic Convergence Zone in spring and summer. Results provide a comprehensive picture of climate change across South America and highlight where model consensus on change is most robust.
Advanced Practice Provider Clinics: Expediting Care For Children Undergoing Tympanostomy Tube Placement
Authors: Belsky Michael A. , Konanur Anisha , Sim Edward , Yan Annie , Shaffer Amber D. , Williams Kathryn , Martsolf Grant R. , Chi David , Jabbour Noel 
Published: February 2021

Objective/HypothesisAdvanced practice provider (APP) employment is becoming common in pediatric otolaryngology practices, though few studies have evaluated the consequences that APP‐led clinics have on access to care. The objectives of this study were: 1) to investigate whether access to bilateral myringotomy with tympanostomy tube placement (BMT) for recurrent acute otitis media (RAOM) differed between patients seen in otolaryngologist and APP‐led clinics 2) to compare clinical characteristics of patients seen by provider type.MethodsRetrospective cohort study at an academic, tertiary care pediatric otolaryngology practice. All children were <18 years old and underwent evaluation for RAOM followed by BMT. We compared time in days from scheduling pre‐operative appointment to appointment date and time from appointment to BMT between patients seen by APPs and otolaryngologists using Mann–Whitney U tests and multivariate linear regression models. We compared clinical characteristics by provider type using Mann–Whitney U tests and Fisher exact tests.ResultsA total of 957 children were included. Children seen by APPs had significantly shorter wait times for appointments (median 19 vs. 39 days, P < .001) and shorter times from preoperative appointment to BMT (median 25 vs. 37 days, P < .001). Patients seen by otolaryngologists had increased prevalence of craniofacial abnormalities, Down Syndrome, hearing loss, history of otologic surgery, and higher ASA physical status classification.ConclusionsChildren seen by APPs received care more quickly than those seen by otolaryngologists. Patients seen by otolaryngologists tended to be more medically complex. Implementation of independent APP clinics may expedite and improve access to BMT for children with RAOM.Level of Evidence3 Laryngoscope, 131:2133–2140, 2021
Barriers to Decannulation After Double‐Stage Laryngotracheal Reconstruction
Authors: Koenigs Maria B. , Behzadpour Hengameh K. , Zalzal George H. , Preciado Diego A. 
Published: February 2021

Objectives/HypothesisTo identify any potential barriers for decannulation in children undergoing double‐staged laryngotracheal reconstruction (dsLTR) beyond the severity of disease itself.Study DesignCase series with chart review.MethodsWe performed a retrospective chart review from 2008 to 2018 of 41 children who had undergone dsLTR as primary treatment for laryngotracheal stenosis at a stand‐alone tertiary children's hospital. We examined the effect of demographic, medical, and surgical factors on successful decannulation and time to decannulation after dsLTR.ResultsOf the 41 children meeting inclusion criteria who underwent dsLTR, 34 (82%) were decannulated. Age, gender, race, insurance status, medical comorbidity, and multilevel stenosis did not predict overall decannulation. Insurance status did not impact time to decannulation (P = .13, Log‐rank). Factors that increased length of time to decannulation were the use of anterior and posterior cartilage grafts (P = .001, Log‐rank), history of pulmonary disease (P = .05, Log rank), history of cardiac disease (P = .017, Log‐rank), and race/ethnicity (P = .001 Log‐rank).ConclusionIn a cohort with a similar decannulation rates to previous dsLTR cohorts, we identified no demographic or medical factors that influenced overall decannulation. We did observe that pulmonary comorbidity, cardiac comorbidity, and race/ethnicity lengthens time to decannulation.Level of Evidence4 Laryngoscope, 131:2141–2147, 2021
Usefulness of Exam Questions and Vital Signs for Predicting the Outcome of Objective Vestibular Tests
Authors: Cohen Helen S. , Sangi‐Haghpeykar Haleh , Watts Megan , Sweeney Alex D. , Peng Angela S. 
Published: February 2021

Objectives/HypothesisTo determine the value of standard clinic screening questions and vital signs in predicting abnormal vestibular function, indicated by standard objective diagnostic tests.Study DesignRetrospective records review.MethodsWe reviewed electronic medical records of 150 patients seen by the neurotologists or the physician assistant they supervised, in an out‐patient tertiary care clinic, between June 2018 and March 2020, and subsequently referred for the complete objective vestibular test battery (VB).ResultsOf standard questions asked during the initial exam about vertigo, disequilibrium, lightheadedness and oscillopsia, only vertigo predicted an abnormal response on the VB. More males than females had abnormal VB responses, P < .05. Pulse was not related to VB score. Significantly more subjects with blood pressure in the range for stage 2 hypertension (blood pressure [BP] stage 2) had abnormal than normal results on the VB, P < .00001. Subjects with BP stage 2 had high rates of diabetes (34.2%) and hypertension (68.4%) as diagnosed by their primary care physicians or cardiologists.ConclusionComplaints of subjective vertigo and BP in the range of hypertension stage 2 are most likely to predict abnormal findings on the VB. Therefore, during an examination of a patient who comes in complaining of dizziness, two measures may be the most useful for screening: BP in the range of hypertension type 2, when BP is taken by a nurse, and a question to determine whether or not the patient has true vertigo.Level of Evidence3 Laryngoscope, 131:1382–1385, 2021