bluuebunny/crossref_metadata_2025 huggingface dataset:
Effect of Abiotic Factors on Seasonal Incidence of Whitefly, Bemisia tabaci on Tomato (Solanum lycopersicum L.) Crop
Authors: D.B. Ingole , B.D. Shinde , M.S. Karmarkar , P.B. Sanap , J.J. Kadam
Published: December 2024

A field experiment was conducted during the Rabi seasons of 2021-22 and 2022-23 to study the influence of various meteorological parameters on the population dynamics of whitefly, Bemisia tabaci (Hemiptera: Aleyrodidae), infesting tomato (Solanum lycopersicum L.). The study was carried out at the Central Experiment Station, Wakawali, Dr. Balasaheb Sawant Konkan Krishi Vidyapeeth, Dapoli. During Rabi 2022-23, the whitefly population ranged from 0.07 to 7.13 per three leaves per plant, while in Rabi 2023-24, it ranged from 0.05 to 7.52 per three leaves per plant. The peak population of whitefly was consistently observed during the 13th Standard Meteorological Week (SMW) in both seasons. Pooled data for both years revealed that the whitefly population ranged from 0.06 to 7.33 per three leaves per plant, with a peak observed during the 13th SMW. Correlation analysis showed that the whitefly population had a significant negative correlation with evening relative humidity (r = -0.685) but a significant positive correlation with evaporation (r = 0.760**) and wind speed (r = 0.803**). In Rabi 2023-24, the whitefly population was positively correlated with maximum temperature (r = 0.648**), bright sunshine hours (r = 0.618**), wind speed (r = 0.940**), and evaporation (r = 0.875**), while showing a significant negative correlation with morning relative humidity (r = -0.649**).The coefficient of determination (R²) indicated that weather parameters contributed to 90% and 91% of the total variation in the whitefly population during Rabi 2022-23 and 2023-24, respectively. The findings highlight the critical role of meteorological factors in influencing the population dynamics of B. tabaci on tomato during the Rabi season.
Ultra Sensitive Visible Spectroscopic Methods for Cefpodoxime Proxetil Using NQS and PDAC Reagents
Authors: Mathew Ceema , Metri Shashikala , Vardhan C. Raja , Prasanna B. Lakshmi , Neha Shakapuram , Subash Nekkanti
Published: December 2024

Very sensitive and accurate visible spectrophotometric methods were developed and validated to quantify Cefpodoxime Proxetil in API and marketed formulation. Method A is based on the measurement of absorbance of a reddish-orange coloured chromogen at 454.9 nm, formed by the condensation reaction of the primary amino group of Cefpodoxime Proxetil with NQS reagent. Method B is based on the measurement of absorbance of a light yellowish green coloured chromogen at 401.3 nm, due to the Schiff’s base formed between Cefpodoxime Proxetil and PDAC reagent in acidic medium. Beer-lambert’s law is obeyed in the concentration range of 0.1-1µg/mL for method A, and for method B, it was 1-10 µg/mL. The values of LOD and LOQ were found to be 0.009 µg/mL and 0.027 µg/mL, respectively, for the condensation reaction with NQS reagent. For Schiff’s base reaction, LOD and LOQ values were 0.154 µg/mL and 0.467 µg/mL respectively. The results of method validation done in accordance with ICH guidelines were satisfactory. The developed method can be successfully employed in routine analysis of Cefpodoxime Proxetil in pharmaceutical dosage forms.
Impact of Organic Foliar Formulations on Growth and Yield of Okra (Abelmoschus esculentus)
Authors: P. B. Ghodke , Prasanna Jakku , S. P. Ubale , S. T. Warpe , I. A. B. Mirza
Published: December 2024

Aims: To evaluate the effect of foliar application of different organic formulations on growth and yield of okra.
Study Design:  Completely Randomized Block Design
Place and Duration of Study: Agronomy organic farm, College of Agriculture, Pune, during summer season of 2019-20.
Methodology: The experiment was laid out in Completely Randomized Block Design with eight treatments and three replications. The gross and net plot sizes were 3.30 m x 3.00 m and 2.70 m x 2.40 m, respectively. The treatments consisted seven organic formulations with one control i.e. no foliar spray viz. control (no foliar spray), T1: control (no foliar spray), T2: foliar application of cow urine at 5%, T3: foliar application of jeevamrut at 5%, T4: foliar application of EM solution at 1%, T5: foliar application of humic acid at 2%, T6: foliar application of fulvic acid at 2%, T7: foliar application of vermiwash at 5% and T8: foliar application of seaweed extract at 0.25%.
Results: The results revealed that all the growth contributing characters viz., plant height, number of branches plant-1, plant spread, number of nodes plant-1, internodal length and leaf area plant-1 were found significantly higher with the foliar application of seaweed extract at 0.25%. This was followed by foliar application of vermiwash at 5%. However, substantial reduction in growth characters was observed with control (no foliar spray).
Conclusion: The expression of growth characters in okra like Plant height, number of branches per plant, Plant spread, Number of nodes, internodal length and Leaf area were recorded higher with the foliar application of sea weed extract at 0.25% and were found statistically difference among all growth characters except the Internodal length which was found to be non-significant.
3D‐Printed Reinforcement Scaffolds with Targeted Biodegradation Properties for the Tissue Engineering of Articular Cartilage
Authors: Tosoratti Enrico , Fisch Philipp , Taylor Scott , Laurent‐Applegate Lee Ann , Zenobi‐Wong Marcy
Published: October 2021

Achieving regeneration of articular cartilage is challenging due to the low healing capacity of the tissue. Appropriate selection of cell source, hydrogel, and scaffold materials are critical to obtain good integration and long‐term stability of implants in native tissues. Specifically, biomechanical stability and in vivo integration can be improved if the rate of degradation of the scaffold material matches the stiffening of the sample by extracellular matrix secretion of the encapsulated cells. To this end, a novel 3D‐printed lactide copolymer is presented as a reinforcement scaffold for an enzymatically crosslinked hyaluronic acid hydrogel. In this system, the biodegradable properties of the reinforced scaffold are matched to the matrix deposition of articular chondrocytes embedded in the hydrogel. The lactide reinforcement provides stability to the soft hydrogel in the early stages, allowing the composite to be directly implanted in vivo with no need for a preculture period. Compared to pure cellular hydrogels, maturation and matrix secretion remain unaffected by the reinforced scaffold. Furthermore, excellent biocompatibility and production of glycosaminoglycans and collagens are observed at all timepoints. Finally, in vivo subcutaneous implantation in nude mice shows cartilage‐like tissue maturation, indicating the possibility for the use of these composite materials in one‐step surgical procedures.
Deterministic Shallow Dopant Implantation in Silicon with Detection Confidence Upper‐Bound to 99.85% by Ion–Solid Interactions
Authors: Jakob Alexander M. , Robson Simon G. , Schmitt Vivien , Mourik Vincent , Posselt Matthias , Spemann Daniel , Johnson Brett C. , Firgau Hannes R. , Mayes Edwin , McCallum Jeffrey C. , Morello Andrea , Jamieson David N.
Published: October 2021

Silicon chips containing arrays of single dopant atoms can be the material of choice for classical and quantum devices that exploit single donor spins. For example, group‐V donors implanted in isotopically purified 28Si crystals are attractive for large‐scale quantum computers. Useful attributes include long nuclear and electron spin lifetimes of 31P, hyperfine clock transitions in 209Bi or electrically controllable 123Sb nuclear spins. Promising architectures require the ability to fabricate arrays of individual near‐surface dopant atoms with high yield. Here, an on‐chip detector electrode system with 70 eV root‐mean‐square noise (≈20 electrons) is employed to demonstrate near‐room‐temperature implantation of single 14 keV 31P+ ions. The physics model for the ion–solid interaction shows an unprecedented upper‐bound single‐ion‐detection confidence of 99.85 ± 0.02% for near‐surface implants. As a result, the practical controlled silicon doping yield is limited by materials engineering factors including surface gate oxides in which detected ions may stop. For a device with 6 nm gate oxide and 14 keV 31P+ implants, a yield limit of 98.1% is demonstrated. Thinner gate oxides allow this limit to converge to the upper‐bound. Deterministic single‐ion implantation can therefore be a viable materials engineering strategy for scalable dopant architectures in silicon devices.
Rippling Ferroic Phase Transition and Domain Switching In 2D Materials
Authors: Yang Yang , Zong Hongxiang , Sun Jun , Ding Xiangdong
Published: October 2021

Ripples are a class of native structural defects widely existing in 2D materials. They originate from the out‐of‐plane flexibility of 2D materials introducing spatially evolving electronic structure and friction behavior. However, the effect of ripples on 2D ferroics has not been reported. Here a molecular dynamics study of the effect of ripples on the temperature‐induced ferroic phase transition and stress‐induced ferroic domain switching in ferroelastic‐ferroelectric monolayer GeSe is presented. Ripples stabilize the short‐range ferroic orders in the high‐temperature phase with stronger ferroicity and longer lifetime, thereby increasing the transition temperature upon cooling. In addition, ripples significantly affect the domain switching upon loading, changing it from a highly correlated process into a ripple‐driven localized one where ripples act as source of dynamical random stress. These results reveal the fundamental role of ripples on 2D ferroicity and provide theoretical guidance for ripple engineering of controlled phase transition and domain switching with potential applications in flexible 2D electronics.
A Morphologically Stable Li/Electrolyte Interface for All‐Solid‐State Batteries Enabled by 3D‐Micropatterned Garnet
Authors: Xu Rong , Liu Fang , Ye Yusheng , Chen Hao , Yang Rachel Rae , Ma Yinxing , Huang Wenxiao , Wan Jiayu , Cui Yi
Published: October 2021

Morphological degradation at the Li/solid‐state electrolyte (SSE) interface is a prevalent issue causing performance fading of all‐solid‐state batteries (ASSBs). To maintain the interfacial integrity, most ASSBs are operated under low current density with considerable stack pressure, which significantly limits their widespread usage. Herein, a novel 3D‐micropatterned SSE (3D‐SSE) that can stabilize the morphology of the Li/SSE interface even under relatively high current density and limited stack pressure is reported. Under the pressure of 1.0 MPa, the Li symmetric cell using a garnet‐type 3D‐SSE fabricated by laser machining shows a high critical current density of 0.7 mA cm–2 and stable cycling over 500 h under 0.5 mA cm–2. This excellent performance is attributed to the reduced local current density and amplified mechanical stress at the Li/3D‐SSE interface. These two effects can benefit the flux balance between Li stripping and creep at the interface, thereby preventing interfacial degradation such as void formation and dendrite growth.
Utilizing the Built‐in Electric Field of p–n Junctions to Spatially Propel the Stepwise Polysulfide Conversion in Lithium–Sulfur Batteries
Authors: Li Hongtai , Chen Chi , Yan Yingying , Yan Tianran , Cheng Chen , Sun Dan , Zhang Liang
Published: October 2021

Integrating sulfur cathodes with effective catalysts to accelerate polysulfide conversion is a suitable way for overcoming the serious shuttling and sluggish conversion of polysulfides in lithium–sulfur batteries. However, because of the sharp differences in the redox reaction kinetics and complicated phase transformation of sulfur, a single‐component catalyst cannot consistently accelerate the entire redox process. Herein, hierarchical and defect‐rich Co3O4/TiO2 p–n junctions (p‐Co3O4/n‐TiO2‐HPs) are fabricated to implement the sequential catalysis of S8(solid) → Li2S4(liquid) → Li2S(solid). Co3O4 sheets physiochemically immobilize the pristine sulfur and ensure the rapid reduction of S8 to Li2S4, while TiO2 dots realize the effective precipitation of Li2S, bridged by the directional migration of polysulfides from p‐type Co3O4 to n‐type TiO2 attributed to the interfacial built‐in electric field. As a result, the sulfur cathode coupled with p‐Co3O4/n‐TiO2‐HPs delivers long‐term cycling stability with a low capacity decay of 0.07% per cycle after 500 cycles at 10 C. This study demonstrates the synergistic effect of the built‐in electric field and heterostructures in spatially enhancing the stepwise conversion of polysulfides, which provides novel insights into the interfacial architecture for rationally regulating the polysulfide redox reactions.
Probing Multicellular Tissue Fusion of Cocultured Spheroids—A 3D‐Bioassembly Model
Authors: Lindberg Gabriella C. J. , Cui Xiaolin , Durham Mitchell , Veenendaal Laura , Schon Benjamin S. , Hooper Gary J. , Lim Khoon S. , Woodfield Tim B. F.
Published: October 2021

While decades of research have enriched the knowledge of how to grow cells into mature tissues, little is yet known about the next phase: fusing of these engineered tissues into larger functional structures. The specific effect of multicellular interfaces on tissue fusion remains largely unexplored. Here, a facile 3D‐bioassembly platform is introduced to primarily study fusion of cartilage–cartilage interfaces using spheroids formed from human mesenchymal stromal cells (hMSCs) and articular chondrocytes (hACs). 3D‐bioassembly of two adjacent hMSCs spheroids displays coordinated migration and noteworthy matrix deposition while the interface between two hAC tissues lacks both cells and type‐II collagen. Cocultures contribute to increased phenotypic stability in the fusion region while close initial contact between hMSCs and hACs (mixed) yields superior hyaline differentiation over more distant, indirect cocultures. This reduced ability of potent hMSCs to fuse with mature hAC tissue further underlines the major clinical challenge that is integration. Together, this data offer the first proof of an in vitro 3D‐model to reliably study lateral fusion mechanisms between multicellular spheroids and mature cartilage tissues. Ultimately, this high‐throughput 3D‐bioassembly model provides a bridge between understanding cellular differentiation and tissue fusion and offers the potential to probe fundamental biological mechanisms that underpin organogenesis.
Achieving Efficient and Stable Perovskite Solar Cells in Ambient Air Through Non‐Halide Engineering
Authors: Wang Zhen , Jin Junjun , Zheng Yapeng , Zhang Xiang , Zhu Zhenkun , Zhou Yuan , Cui Xiaxia , Li Jinhua , Shang Minghui , Zhao Xingzhong , Liu Sheng , Tai Qidong
Published: October 2021

The realization of highly efficient perovskite solar cells (PSCs) in ambient air is considered to be advantageous for low‐cost commercial manufacturing. However, it is fundamentally difficult to achieve comparable device performance to that obtained in an inert atmosphere, especially when the ambient humidity is high. Here, an effective precursor engineering that simultaneously employs non‐halide lead acetate and lead thiocyanate lead sources for fabricating high‐quality methylammonium lead iodide perovskite films in ambient air with enhanced moisture tolerance, is reported. The presence of Ac– and SCN– ions not only enables the facile formation of homogeneous and highly crystalized perovskite films, but also directs the uniform growth of the crystals along the (110) direction. Accordingly, a 20.55% efficiency is demonstrated, one of the best results for air‐processed MAPbI3 PSCs, which is also the highest value achieved with non‐halide lead sources. Furthermore, the unencapsulated device shows fivefold prolonged air stability (3600 h) compared to the conventional PbI2‐based PSC. Together with the use of non‐toxic antisolvent, this strategy is fully compatible with ambient air operation and thus of great potential for practical applications.
Inverted colonic diverticulum mimic colon polyp: A case report and review
Authors: Chang Hung‐Chuen
Published: October 2021

Inverted colonic diverticula (ICD) are infrequent colonoscopy findings and usually can be misdiagnosed as colon polyps. Further endoscopic intervention including biopsy or polypectomy is dangerous and might lead to severe complications. We report a case of inverted colonic diverticulum mimic colon polyp, characteristics with Aurora rings surrounding the lesion and these rings were enhanced by narrow‐band imaging. Besides, the polypoid lesion was reverted to a typical diverticular appearance after direct water jet. Endoscopists should be aware of the possibility of ICD and be familiar with the endoscopic characteristics and maneuvers for different diagnoses of ICD from colon polyps to avoid unnecessary dangerous intervention.
Endoscopic management in a patient with pancreas divisum and recurrent pancreatitis: A case report of endoscopic ultrasound‐guided rendezvous technique
Authors: Chen Kuei‐Yu , Lin Yen‐Chih , Yen Hsu‐Heng , Chen Yang‐Yuan , Shih Kai‐Lun
Published: October 2021

Pancreatic divisum is a common congenital anomaly that can cause chronic pancreatitis or abdominal pain. Endoscopic retrograde cholangiopancreatography with pancreas duct stenting is the treatment of choice, but sometimes it is very difficult for minor papilla cannulation. We presented a difficult case in which pancreas duct stenting was performed successfully by endoscopic ultrasonography‐guided rendezvous method. The patient was free from symptoms for several years after months of pancreas duct stenting. While it is difficult to approach the minor papilla, endoscopic ultrasonography‐guided rendezvous method is a good choice.
Selfing rate variation within species is unrelated to life‐history traits or geographic range position
Authors: Prior Carly J. , Busch Jeremiah W.
Published: October 2021

Premise

In plants, populations and species vary widely along the continuum from outcrossing to selfing. Life‐history traits and ecological circumstances influence among‐species variation in selfing rates, but their general role in explaining intraspecific variation is unknown. Using a database of plant species, we test whether life‐history traits, geographic range position, or abundance predict selfing rate variation among populations.

Methods

We identified species where selfing rates were estimated in at least three populations at known locations. Two key life‐history traits (generation time and growth form) were used to predict within‐species selfing rate variation. Populations sampled within a species’ native range were assessed for proximity to the nearest edge and abundance. Finally, we conducted linear and segmented regressions to determine functional relationships between selfing rate and geographic range position within species.

Results

Selfing rates for woody species varied less than for herbs, which is explained by the lower average selfing rate of woody species. Relationships between selfing and peripherality or abundance significantly varied among species in their direction and magnitude. However, there was no general pattern of increased selfing toward range edges. A power analysis shows that tests of this hypothesis require studying many (i.e., 40+) populations.

Conclusions

Intraspecific variation in plant mating systems is often substantial yet remains difficult to explain. Beyond sampling more populations, future tests of biogeographic hypotheses will benefit from phylogeographic information concerning specific range edges, the study of traits influencing mating system (e.g., herkogamy), and measures of abundance at local scales (e.g., population density).
Site‐Specific 5‐Formyl Cytosine Mediated DNA‐Histone Cross‐Links: Synthesis and Polymerase Bypass by Human DNA Polymerase η
Authors: Pujari Suresh S. , Wu Mingxuan , Thomforde Jenna , Wang Zhipeng A. , Chao Christopher , Olson Noelle M. , Erber Luke , Pomerantz William C. K. , Cole Philip , Tretyakova Natalia Y.
Published: October 2021

DNA‐protein cross‐links (DPCs) between DNA epigenetic mark 5‐formylC and lysine residues of histone proteins spontaneously form in human cells. Such conjugates are likely to influence chromatin structure and mediate DNA replication, transcription, and repair, but are challenging to study due to their reversible nature. Here we report the construction of site specific, hydrolytically stable DPCs between 5fdC in DNA and K4 of histone H3 and an investigation of their effects on DNA replication. Our approach employs oxime ligation, allowing for site‐specific conjugation of histones to DNA under physiological conditions. Primer extension experiments revealed that histone H3‐DNA crosslinks blocked DNA synthesis by hPol η polymerase, but were bypassed following proteolytic processing.
Clippane: A Mechanically Interlocked Molecule (MIM) Based on Molecular Tweezers
Authors: Ibáñez Susana , Vicent Cristian , Peris Eduardo
Published: October 2021

In this study we report the preparation of a new mechanically interlocked molecule formed by the self‐aggregation of two metallotweezers composed by two pyrene‐imidazolylidene gold(I) arms and a pyridine‐centered pentacyclic bis‐alkynyl linker. The mechanically interlocked nature of this molecule arises from the presence of the bulkytert‐butyl groups attached to the sides of the pyrene moieties of the arms of the tweezer, which act as stoppers avoiding the dissociation of the self‐aggregated metallotweezer dimer once it is formed. By combining experimental techniques, we were able to confirm the mechanically interlocked nature of this molecule in solution, in the gas phase and in the solid state. The behavior of thetert‐butyl substituted tweezer differs greatly form that shown by the tweezer lacking of these bulky groups, whose dimeric structure is in equilibrium with the monomeric structure, therefore not showing any mechanical coercion that avoids the disassembly of the self‐aggregated structure.
Strong SHG Responses in a Beryllium‐Free Deep‐UV‐Transparent Hydroxyborate via Covalent Bond Modification
Authors: Wu Chao , Jiang Xingxing , Lin Lin , Dan Wenyan , Lin Zheshuai , Huang Zhipeng , Humphrey Mark G. , Zhang Chi
Published: October 2021

Deep‐ultraviolet (deep‐UV) nonlinear optical (NLO) crystals are key materials in creating tunable deep‐UV lasers for frequency conversion technology. However, practical application of the sole usable crystal, KBe2BO3F2, has been hindered by the high toxicity of beryllium and its layering tendency in crystal growth. Herein, we report a beryllium‐free deep‐UV NLO material NaSr3(OH)(B9O16)[B(OH)4] (NSBOH), synthesized by a covalent bond modification strategy under hydrothermal conditions. Moisture‐stable NSBOH exhibits strong second‐harmonic generation (SHG) at 1064 nm (3.3 × KH2PO4) and 532 nm (0.55 × β‐BaB2O4), both amongst the largest powder SHG responses for a deep‐UV borate, with good phase‐matchability and a short wavelength cutoff edge (below 190 nm). NSBOH possesses a 3D covalent anionic [B9O19]∞ honeycomb‐like framework with no layering. The Sr2+ and Na+ ions, residing in the cavities of the anionic framework, act as templates for the assembly and favorable alignment of NLO‐active groups, resulting in an optimal balance between strong SHG activities and wide UV transparency. These merits indicate NSBOH is a very attractive candidate for deep‐UV NLO applications.
The role of the perceived engagement of the facilitator in a vicarious contact intervention: A school‐based field experiment in three countries
Authors: Mäkinen Viivi , Jasinskaja‐Lahti Inga , Renvik Tuuli Anna , Cocco Veronica Margherita , Lášticová Barbara , Vezzali Loris , Liebkind Karmela
Published: October 2021

Indirect forms of intergroup contact have been shown to reduce prejudice. However, little is known about the factors that can contribute to implementing these methods as interventions in real‐life settings. In this study, we examined whether the students' perception of the facilitator's engagement in carrying out a school‐based vicarious contact intervention affects the effectiveness of the intervention among adolescents in Finland (N = 360), Italy (N = 113), and Slovakia (N = 216). As a result, the participants who perceived the facilitator as highly engaged held more positive intergroup attitudes after the intervention than those perceiving the facilitator less engaged. The results are discussed in relation to social and developmental psychological research on normative influences in adolescence and intergroup contact literature, in which normative support from authorities is considered to contribute to the extent to which contact reduces prejudice. By stressing the role of the facilitator, the results contribute both theoretically and practically to the understanding of the successful implementation of prejudice‐reduction programs. Please refer to the Supplementary Material section to find this article's Community and Social Impact Statement.
In vitro Doppler versus catheter transvalvular pressure gradients in balloon‐expandable versus self‐expanding transcatheter aortic valves
Authors: Stanová Viktória , Rieu Régis , Côté Nancy , Salaun Erwan , Rodés‐Cabau Josep , Pibarot Philippe
Published: October 2021

Objectives

The objective of this in vitro study was to compare Doppler versus catheter transvalvular pressure gradients (TPG) in third generations balloon‐expandable (BE) versus self‐expanding (SE) transcatheter heart valves (THV).

Background

TPG is a key parameter to assess and follow valve hemodynamic function following transcatheter aortic valve implantation (TAVI). It remains uncertain and debated whether, and to which extent, TPGs differ according to the type of THV, that is, BE versus SE and to the method used for TPG measurement, that is, Doppler echocardiography versus cardiac catheterization.

Methods

The CoreValve EVOLUT PRO 26 mm and the SAPIEN 3 23 mm THVs were tested in a left heart simulator using a 21 mm aortic annulus under following conditions: heart rate: 70 bpm, mean aortic pressure: 100 mmHg, stroke volume: 30, 70 and 100 ml. Mean TPGs were measured by continuous‐wave Doppler and by micro‐tip pressure catheters positioned in the left ventricle and at 50 mm downstream to the tip of the THV leaflets.

Results

Doppler TPGs (9.5 ± 3.9 mmHg) were on average 40.5 ± 13.9% higher (p < 0.001) than catheter TPGs (6.3 ± 3.4 mmHg). Both Doppler and catheter TPGs were lower (p = 0.003) in the SE versus BE THVs (Doppler: 8.7 ± 3.5 vs. 10.7 ± 4.6; catheter: 5.0 ± 1.7 mmHg vs. 7.1 ± 2.2). The Doppler versus catheter difference in TPG increased with the higher flow conditions. The Doppler versus catheter difference in TPG was similar in BE versus SE THVs (3.6 ± 1.1 vs. 3.7 ± 1.4 mmHg or 42 ± 9 vs. 47 ± 9%; p = 0.58) overall and in each flow conditions.

Conclusion

The Doppler TPGs are, on average, 40% higher than the catheter TPGs for both BE and SE THVs. The SE THV had lower Doppler and catheter TPGs compared to the BE THV, at normal and high flow states. The absolute and percent differences between Doppler versus catheter TPGs were similar in BE versus SE THVs.
Light‐ and pH‐regulated Water‐soluble Pseudorotaxanes Comprising a Cucurbit[7]uril and a Flavylium‐based Axle
Authors: Seco André , Yu Shilin , Tron Arnaud , McClenaghan Nathan D. , Pina Fernando , Jorge Parola A. , Basílio Nuno
Published: October 2021

A linear double pyridinium‐terminated thread comprising a central chalcone moiety is shown to provide two independent binding sites with similar affinity for cucurbit[7]uril (CB7) macrocycles in water as judged from NMR, UV‐Visible and fluorescence spectroscopies. Association results in [2] and [3]pseudorotaxanes, which are both pH and photosensitive. Switching from the neutral chalcone to the cationic flavylium form upon irradiation at 365 nm under acidic conditions provided an enhanced CB7 association (K1:1 increases from 1.2×105 M−1 to 1.5×108 M−1), limiting spontaneous on‐thread cucurbituril shuttling. This co‐conformational change in the [2]pseudorotaxane is reversible in the dark with kobs=4.1×10−4 s−1. Threading the flavylium moiety into CB7 leads to a dramatic increase in the fluorescence quantum yield, from 0.29 in the free axle to 0.97 in the [2]pseudorotaxane and 1.0 in the [3]pseudorotaxane.
Fast and Efficient Postsynthetic DNA Labeling in Cells by Means of Strain‐Promoted Sydnone‐Alkyne Cycloadditions
Authors: Krell Katja , Pfeuffer Bastian , Rönicke Franziska , Chinoy Zoeisha S. , Favre Camille , Friscourt Frédéric , Wagenknecht Hans‐Achim
Published: October 2021

Sydnones are highly stable mesoionic 1,3‐dipoles that react with cyclooctynes through strain‐promoted sydnone‐alkyne cycloaddition (SPSAC). Although sydnones have been shown to be valuable bioorthogonal chemical reporters for the labeling of proteins and complex glycans, nucleic acids have not yet been tagged by SPSAC. Evaluation of SPSAC kinetics with model substrates showed fast reactions with cyclooctyne probes (up to k=0.59 M−1 s−1), and two different sydnones were effectively incorporated into both 2’‐deoxyuridines at position 5, and 7‐deaza‐2’‐deoxyadenosines at position 7. These modified nucleosides were synthetically incorporated into single‐stranded DNAs, which were successfully postsynthetically labeled with cyclooctyne probes both in vitro and in cells. These results show that sydnones are versatile bioorthogonal tags and have the premise to become essential tools for tracking DNA and potentially RNA in living cells.
THF‐solvated Heavy Alkali Metal Benzyl Compounds (Na, Rb, Cs): Defined Deprotonation Reagents for Alkali Metal Mediation Chemistry
Authors: Brieger Lukas , Unkelbach Christian , Strohmann Carsten
Published: October 2021

The incorporation of heavy alkali metals into substrates is both challenging and essential for many reactions. Here, we report the formation of THF‐solvated alkali metal benzyl compounds [PhCH2M ⋅ (thf)n] (M=Na, Rb, Cs). The synthesis was carried out by deprotonation of toluene with the bimetallic mixture n‐butyllithium/alkali metal tert‐butoxide and selective crystallization from THF of the defined benzyl compounds. Insights into the molecular structure in the solid as well as in solution state are gained by single crystal X‐ray experiments and NMR spectroscopic studies. The compounds could be successfully used as alkali metal mediating reagents. The example of caesium showed the convenient use by deprotonating acidic C−H as well as N−H compounds to gain insight into the aminometalation using these reagents.
Cobalt‐Catalyzed Dehydrogenative C−H Silylation of Alkynylsilanes
Authors: Stachowiak Hanna , Kuciński Krzysztof , Kallmeier Fabian , Kempe Rhett , Hreczycho Grzegorz
Published: October 2021

Herein, we report that a cobalt catalyst permits the general synthesis of substituted alkynylsilanes through dehydrogenative coupling of alkynylsilanes and hydrosilanes. Several silylated alkynes, including di‐ and trisubstituted ones, were prepared in a one‐step procedure. Thirty‐seven compounds were synthesized for the first time by applying our catalyst system. The alkynylsilanes bearing hydrosilyl moieties provide an opportunity for further functionalization (e. g., hydrosilylation). The use of primary silanes as substrates and precatalyst activators permits the use of inexpensive and easily accessible 3d metal precatalysts, and avoids the presence of additional activators.
Pharmacokinetic Drug‐Drug Interaction Study of Omecamtiv Mecarbil With Amiodarone and Digoxin in Healthy Subjects
Authors: Trivedi Ashit , Sohn Winnie , Hsu Cheng‐Pang , Jafarinasabian Pegah , Zhang Hanze , Hutton Shauna , Flach Stephen , Abbasi Siddique , Dutta Sandeep , Lee Edward
Published: October 2021

Omecamtiv mecarbil (OM), a novel cardiac myosin activator, is being evaluated for the treatment of heart failure with reduced ejection fraction. In vitro studies demonstrate OM as a substrate and inhibitor of P‐glycoprotein (P‐gp), which can result in drug‐drug interactions. Two phase 1, open‐label studies assessed the effect of coadministration of OM (50‐mg single dose) on the pharmacokinetics of digoxin (0.5‐mg single dose; N = 15), a P‐gp substrate, and the effect of coadministration of amiodarone (600‐mg single dose), a P‐gp inhibitor, on the pharmacokinetics of OM (50‐mg single dose; N = 14) in healthy subjects. The ratios of the geometric least squares mean (90% confidence interval [CI]) of digoxin coadministered with OM vs digoxin alone for area under the plasma concentration–time curve (AUC) from time 0 to infinity, AUC from time 0 to the time of the last quantifiable concentration, and maximum observed plasma concentration were 1.06 (90%CI, 0.99‐1.14), 1.06 (90%CI, 0.98‐1.14), and 1.08 (90%CI, 0.92‐1.26), respectively. The ratios of the geometric least squares mean of OM coadministered with amiodarone vs OM alone for AUC from time 0 to infinity, AUC from time 0 to the time of the last quantifiable concentration, and maximum observed plasma concentration were 1.21 (90%CI, 1.08‐1.36), 1.21 (90%CI, 1.07‐1.36), and 1.08 (90%CI, 0.96‐1.22), respectively. In conclusion, OM coadministered with digoxin or amiodarone did not result in any clinically relevant pharmacokinetic drug‐drug interactions.
Mixed Valence (μ‐Phenoxido) FeIIFeIII and FeIIIFeIV Compounds: Electron and Proton Transfers
Authors: Dubourdeaux Patrick , Blondin Geneviève , Latour Jean‐Marc
Published: October 2021

Mixed‐valence non‐heme diiron centers are present at the active sites of a few enzymes and confer them interesting reactivities with the two ions acting in concert. Related (μ‐phenoxido)diiron complexes have been developed as enzyme mimics. They exhibit very rich spectroscopic properties enabling independent monitoring of each individual ion, which proved useful for mechanistic studies of catalytic hydrolysis and oxidation reactions. In our studies of such complexes, we observed that these compounds give rise to a wide variety of electron transfers (intervalence charge transfer), proton transfers (tautomerism), coupled electron and proton transfers (H. abstraction and PCET). In this minireview, we present and analyze the main results illustrating the latter aspects.
Hydrogen Bonding and Vaporization Thermodynamics in Hexafluoroisopropanol‐Acetone and ‐Methanol Mixtures. A Joined Cluster Analysis and Molecular Dynamic Study
Authors: Marchelli Gwydyon , Ingenmey Johannes , Hollóczki Oldamur , Chaumont Alain , Kirchner Barbara
Published: October 2021

Binary mixtures of hexafluoroisopropanol with either methanol or acetone are analyzed via classical molecular dynamics simulations and quantum cluster equilibrium calculations. In particular, their populations and thermodynamic properties are investigated with the binary quantum cluster equilibrium method, using our in‐house code Peacemaker 2.8, upgraded with temperature‐dependent parameters. A novel approach, where the final density from classical molecular dynamics, has been used to generate the necessary reference isobars. The hydrogen bond network in both type of mixtures at molar fraction of hexafluoroisopropanol of 0.2, 0.5, and 0.8 respectively is investigated via the molecular dynamics trajectories and the cluster results. In particular, the populations show that mixed clusters are preferred in both systems even at 0.2 molar fractions of hexafluoroisopropanol. Enthalpies and entropies of vaporization are calculated for the neat and mixed systems and found to be in good agreement with experimental values.
Body sensor network encryption and team user authentication scheme based on electrocardiogram detector
Authors: Ramadoss Janarthanan
Published: October 2021

Body sensor network (BSN)/wireless body area networks (WBANs) is one of the essential aspects of the Internet of Things (IoT), which is possible to track the patient's essential biological and cognitive data through wearable sensors. The WBAN is easily accessible due to open sources; data security and privacy should be maintained throughout the communication characteristics. Due to the advancement of technology, BSN is restricted in a wide range of clinical applications. BSN is used to monitor the physiological characteristics continuously. The data can be easily traced by the attackers where the fingerprint scanners obtained can be used for the user authentication because of its wireless communication. This paper proposes a body sensor network encryption and user authentication (BSN‐EUA) scheme based on the ECG detector. BSN‐EUA scheme is used to provide the fingerprint scanners for user authentication, and all the activities regarding the health of a person are recorded on the mobile phone. The electrocardiogram's (ECG) descriptive characteristics are used throughout the authentication process as a recognizable fingerprint parameter. Quick community security protocols are then provided across all certified sensors where minor adjustments are needed to update the key generation mechanism on the sensor's side. Evaluation results show that the methodology suggested could reach the required security requirements and avoid several threats.
Engineering Vacancy‐Atom Ensembles to Boost Catalytic Activity toward Hydrogen Evolution
Authors: Shen Ruofan , Liu Yanyan , Wen Hao , Wu Xianli , Peng Zhikun , Mehdi Sehrish , Liu Tao , Zhang Huanhuan , Guan Shuyan , Liang Erjun , Li Baojun
Published: October 2021

The dissociation of water is the rate‐determining step of several energy‐relating reactions due to high energy barrier in homolysis of H‐O bond. Herein, engineering vacancy‐atom ensembles via injecting oxygen vacancy (VO) into single facet‐exposed TiO2‐Pd catalyst to form VO‐Pd ensemble is proposed and implemented. The outstanding activity of as‐prepared catalyst, 1.5‐PdTVO, toward water dissociation is established with a turnover frequency of 240 min−1 in ammonia borane hydrolysis at 298 K. Density functional theory simulation suggests that the VO‐Pd ensemble is responsible for the high intrinsic catalytic activity. Water molecules tend to be dissociated on VO sites and ammonia borane molecules on Pd atoms. Those H atoms from water dissociation on VO combine with H atoms from ammonia borane on Pd atoms to generate H2. This insights into engineering vacancy‐atom ensembles catalysis provide a new avenue to design catalytic materials for important energy chemical reactions.
Simultaneous determination of mitotane, its metabolite, and five steroid hormones in urine samples by capillary electrophoresis using β‐CD2SDS1 complexes as hydrophobic compounds solubilizers
Authors: Pieckowski Michał , Kowalski Piotr , Olędzka Ilona , Miękus‐Purwin Natalia , Plenis Alina , Roszkowska Anna , Bączek Tomasz
Published: October 2021

Mitotane is a cytotoxic drug used in the treatment of inoperable adrenocortical carcinoma, it inhibits steroidogenesis as well, and therefore monitoring the level of steroid hormones in patients treated with mitotane is a crucial point of therapy. Hence, we have developed a simple, fast, and efficient electrophoretic method combined with reverse polarity sweeping as online preconcentration technique and dispersive liquid–liquid microextraction for the simultaneous determination of mitotane, its main metabolite DDA, and five steroid hormones (progesterone, testosterone, epitestosterone, cortisol, and corticosterone) in urine samples. In addition, a new sample matrix consisting of β‐CD2SDS1 complexes for a high hydrophobic compounds solubilization was developed. Approach based on the application of β‐cyclodextrin and SDS complex of a ratio 2:1 allowed for hydrodynamic injection into the capillary of a solution containing both mitotane and other analytes. The detection limits of the analytes for the reverse polarity sweeping‐dispersive liquid–liquid microextraction method were found to be in the range of 1.5–3 ng/mL, which were approximately 1000 times lower than in the conventional hydrodynamic injection (5 s, 0.5 psi) without any preconcentration procedure. All analytes were completely resolved in less than 13 min by uncoated silica capillary with an inner diameter of 75 μm (ID) × 60 cm. Electrophoretic separation was performed in reverse polarity with a voltage of –25 kV with a background electrolyte (BGE) consisting of 100 mM SDS, 25% ACN, 25 mM phosphate buffer (pH 2.5), and 7 mM β‐cyclodextrin.
Friction calculation and packing effect analysis for gravel packing in deepwater horizontal wells
Authors: Wen Min , Huang Hui , Zhou Shengtian , Fan Baitao , Qiu Hao
Published: October 2021

Gravel packing is one of the most commonly used well‐completion methods for controlling sand production in deepwater horizontal gas wells. Both the gravel‐packing mechanisms and the technical difficulties of gravel packing in a horizontal well are discussed in this paper. Subsequently, packing simulations were conducted based on geological data from a well in the LS gas field in the northern South China Sea. The factors influencing the gravel‐packing process were quantitatively analyzed. The influences of the pump rate, carrying fluid leak‐off ratio, and density of gravel on the sand‐dune ratio of the α‐wave, height of the sand dune, packing length of the α‐wave, and packing pressure were analyzed. The results show that the pipe string injection friction is the largest at the slurry injection stage and the α‐wave packing stage. In the β‐wave packing stage, the downhole horizontal flow friction becomes the main pressure loss. The friction increased when the β‐wave packing reached the heel of the horizontal wells. As a result, the packing pressure can easily exceed the formation fracture pressure. Furthermore, the lower the pump rate, the higher the sand‐dune ratio, which would cause premature screen‐out and blockage. Therefore, optimizing the pump rate is essential to ensure that the sand‐dune ratio meets the designed requirements. Under a certain leak‐off rate, the lower the gravel density, the longer the packing length of the α‐wave. For a long horizontal well, the step‐down method can be used to control the packing pressure during the β‐wave packing stage. The results provide technical support for field gravel packing.
Exploring opportunities for math learning within parent–infant interactions
Authors: Leech Kathryn A. , Herbert Kaitlin , Yang Qianru Tiffany , Rowe Meredith L.
Published: October 2021

Children's mathematical knowledge at school entry varies considerably and predicts long‐term achievement outcomes. Differences in children's exposure to math and number talk at home may help to explain variations in school‐entry math ability. However, nearly all research on exposure to math and number talk has been conducted with parents and preschool‐aged children. This longitudinal study examined to what extent parents talk about math with their 10‐, 14‐ and 18‐month infants during play. Additional analyses examined factors to explain variation in parent math talk at the family level (socio‐economic status), parent level (beliefs about children's mathematical development) and child level (gender). Transcripts of dyadic play sessions were coded for references to numbers and math concepts (e.g., first, many, more). It was found that parents do talk about numbers and math concepts with infants, albeit rarely, and such language increases in frequency and complexity over time. Parents use more statements than questions about math, and most often reference small‐number terms (1–3). Neither socio‐economic status nor beliefs were predictive of parental math talk. However, parents used significantly more math references over time with boys than girls. The results are discussed in terms of the importance of social interactions during infancy in fostering children's mathematical knowledge.
In vivo evaluation of bone repair guided with biological membrane based on polyhydroxybutyrate and norbixin
Authors: Sousa Rayssilane C. , Viana Vicente G. F. , Meneses Luiz F. C. , Maia Filho Antônio L. M. , Santos Francisco E. P. , Azevedo Marleane M. F. , Nascimento Hélio M. S. , Pinto Lucielma S. S. , Vasconcelos Daniel F. P.
Published: October 2021

The present work aimed to synthesize and verify the effectiveness of the polyhydroxybutyrate and norbixin membrane as a scaffold in bone defects induced in the tibia of rats. Twenty‐four male Rattus norvegicus rats were used, divided into control and membrane groups. After anesthesia, a bone defect was induced in the right tibia, followed by the implantation of the biomaterial at the site of the lesion only in the membrane group, with euthanasia after 15 and 30 days of the experiment. The deposition of organic and inorganic matrix, the quality of newly formed bone tissue and the morphology of the bone defect were measured. After 15 days of the experiment, the biomaterial significantly influenced the deposition of hydroxyapatite crystals, the formation of collagen I matrix and mineralization content in relation to the control group, in addition to the abbreviation of the inflammatory process and superior quality of the newly formed bone tissue. After 30 days, only the membrane group had fully completed its repair process. The biomaterial acted as a scaffold in the regeneration of the guided bone defect by accelerating the synthesis of collagen matrix, mineralization content, density, and maturity when compared to the control group.
The passive behavior of biomedical alloys in simulated physiological solutions
Authors: Pound Bruce G.
Published: October 2021

Passive alloys are commonly considered to exhibit a current that is essentially independent of potential over the passive range in neutral chloride solutions. However, the current‐potential dependence of Ti and its alloys, CoCr alloys, and 316L stainless steel in buffered, simulated physiological solutions containing phosphate differs from that usually reported for the alloys in chloride‐only solutions. An analysis of potentiodynamic polarization data from previous studies showed that these alloys typically exhibit an exponential dependence of current on potential—as reflected by Tafel‐type behavior—over the initial part of the passive range in buffered solutions. This behavior is consistent with that predicted by the Generalized Growth Model for film growth and dissolution in the case of thin films where cation migration through the film is the rate‐controlling step and where the anodic current is associated predominantly with dissolution. Film growth is thought to be impeded in the buffered solutions, allowing the rate of migration and hence dissolution to remain relatively high over a wider potential range. Analysis of the apparent Tafel slopes indicated that the Ti and CoCr alloys exhibit a similar corrosion mechanism, with a small difference in the slopes for the two groups of alloys being attributable to the difference in the type of oxide. Stainless steel 316L exhibits a distinctly higher apparent Tafel slope, which is likely associated in large part with the duplex nature of the oxide.
Medicinal perspective of quinazolinone derivatives: Recent developments and structure–activity relationship studies
Authors: Wahan Simranpreet K. , Sharma Bharti , Chawla Pooja A.
Published: October 2021

Heterocyclic rings have long piqued the interest of medicinal chemists. Quinazolinone is a fused nitrogen‐based heterocyclic moiety. Some of quinazolinone derivatives have emerged as marketed drugs. A tremendous number of pharmacological activities such as anticancer, anticonvulsant, antimalarial, antifungal, antibacterial, antiinflammatory, MMP inhibitors, antidiabetic, antileishmanial, and hypolipidemic properties have been explored. A number of quinazolinone derivatives have already paved way in various stages of clinical trials. An extensive literature on developed synthetic schemes based on green chemistry and biological activities of quinazolinone has been included in this study. The content of patent filed and granted of various quinazolinone‐based compounds are also mentioned.