bluuebunny/crossref_metadata_2025_split huggingface dataset:
Direct Laser Writing for the Formation of Large‐Scale Gold Microbumps Arrays Generating Hybrid Lattice Plasmon Polaritons in Vis–NIR Range
Authors: Stankevičius Evaldas , Vilkevičius Kernius , Gedvilas Mindaugas , Bužavaitė‐Vertelienė Ernesta , Selskis Algirdas , Balevičius Zigmas 
Published: April 2021

AbstractSurface plasmon polaritons (SPPs) based light–matter interactions play a major role in photonic sensor applications. In order to implement such sensors in microchip devices or reduce the fabrication costs, a method with high flexibility and large‐scale capabilities must be developed. Here, the formation of large‐scale gold microbumps arrays by using a direct laser writing technique is presented. The fabricated arrays exhibit the hybrid lattice plasmon polaritons in the Vis–NIR range, in the same range as metallic gratings fabricated by lithography‐based techniques. The peak of hybrid lattice plasmon resonance depends on the period of the fabricated arrays, the thickness of the gold film, coupled light polarization, and sample orientation. The experimental results are in good agreement with the theoretical estimation. The demonstrated method shows relevant technological progress in the formation of large‐scale metallic gratings by using a cost‐effective laser‐based technique. It provides new opportunities for hybrid lattice plasmon polariton (HLPP)‐based applications in biotechnology, photonics, plasmonics, and so on.
Edge‐Orientation Dependent Nanoimaging of Mid‐Infrared Waveguide Modes in High‐Index PtSe2
Authors: Wong Kin Ping , Hu Xin , Lo Tsz Wing , Guo Xuyun , Fung Kin Hung , Zhu Ye , Lau Shu Ping 
Published: April 2021

AbstractAll‐dielectric nanophotonics is a rapidly developing field that employs high‐index low‐loss dielectric materials to boost light–matter interactions at the nanoscale. This is owing to their potential in achieving low‐loss optical responses and the coexistence of strong enhancement of electric and magnetic fields, which are absent in their plasmonic counterparts. Transition‐metal dichalcogenides (TMDCs) have been utilized for high‐index dielectric Mie nanoresonators in the visible to near‐infrared spectral range due to their high in‐plane and out‐of‐plane optical anisotropy, excitonic effect, and high‐index properties. However, high‐index materials for mid‐infrared (MIR) nanophotonics are still highly sought after. Here, it is shown that PtSe2, a group‐10 TMDC, could support dielectric waveguide modes in MIR despite its semimetallic nature. It is revealed that PtSe2optically acts as a dielectric material with a high refractive index of ≈5 and a low extinction coefficient in the MIR region. The value is among the highest in the low‐loss TMDCs and mainstream dielectric materials. A comprehensive sample‐edge‐orientation dependent nanoimaging together with spectroscopic nanoimaging characterization of the PtSe2 allows the extraction of the dispersion relations of the modes, from which the velocity parameters could be determined. This work paves the way for high‐performance MIR devices via high‐index PtSe2‐based nanostructures.
Performance of a model in simulating growth and stability for cassava grown after rice
Authors: Sawatraksa Nateetip , Banterng Poramate , Jogloy Sanun , Vorasoot Nimitr , Cadena Leidy Patricia Moreno , Hoogenboom Gerrit 
Published: April 2021

AbstractSelecting the appropriate genotype for growing cassava (Manihot esculenta Crantz) after rice (Oryza sativa L.) can help increase the supply of cassava and improve land use efficiency. However, conducting the selection requires data from many years of multi‐environment yield trials. A systems analysis approach using crop models can support this process. This study aimed to evaluate a potential application of the Cropping System Model (CSM)‐MANIHOT‐Cassava in determining genotype stability across different upper paddy field conditions when planted following rice. Four cassava genotypes, that is, Kasetsart 50, Rayong 9, Rayong 11, and CMR38‐125‐77, were evaluated for the six different environments in Thailand from the 2015 through 2018 growing seasons. The data required for the model were recorded, including biomass and yield. The cultivar coefficients of the CSM‐MANIHOT‐Cassava model for the four genotypes were calibrated and evaluated with the experimental data. The model was then run for historical weather data from 1988 to 2018 for the six environments for production under rain‐fed conditions in upper paddy fields following rice. The overall results showed that the model was able to simulate biomass and yield of the four cassava genotypes quite well when compared to the experimental data. The model identified the same stable genotypes as presented in the actual trials. The genotype CMR38‐125‐77 was found to be a stable genotype and had the highest mean performance for both the actual yield trials and the simulation study. Therefore, the CSM‐MANIHOT‐Cassava model could be used to help identify the favorable genotype for planting in various paddy field conditions after rice harvest.
Reduced global cerebral oxygen metabolic rate in sickle cell disease and chronic anemias
Authors: Vu Chau , Bush Adam , Choi Soyoung , Borzage Matthew , Miao Xin , Nederveen Aart J. , Coates Thomas D. , Wood John C. 
Published: April 2021

AbstractAnemia is the most common blood disorder in the world. In patients with chronic anemia, such as sickle cell disease or major thalassemia, cerebral blood flow increases to compensate for decreased oxygen content. However, the effects of chronic anemia on oxygen extraction fraction (OEF) and cerebral metabolic rate of oxygen (CMRO2) are less well understood. In this study, we examined 47 sickle‐cell anemia subjects (age 21.7 ± 7.1, female 45%), 27 non‐sickle anemic subjects (age 25.0 ± 10.4, female 52%) and 44 healthy controls (age 26.4 ± 10.6, female 71%) using MRI metrics of brain oxygenation and flow. Phase contrast MRI was used to measure resting cerebral blood flow, while T2‐relaxation‐under‐spin‐tagging (TRUST) MRI with disease appropriate calibrations were used to measure OEF and CMRO2. We observed that patients with sickle cell disease and other chronic anemias have decreased OEF and CMRO2 (respectively 27.4 ± 4.1% and 3.39 ± 0.71 ml O2/100 g/min in sickle cell disease, 30.8 ± 5.2% and 3.53 ± 0.64 ml O2/100 g/min in other anemias) compared to controls (36.7 ± 6.0% and 4.00 ± 0.65 ml O2/100 g/min). Impaired CMRO2 was proportional to the degree of anemia severity. We further demonstrate striking concordance of the present work with pooled historical data from patients having broad etiologies for their anemia. The reduced cerebral oxygen extraction and metabolism are consistent with emerging data demonstrating increased non‐nutritive flow, or physiological shunting, in sickle cell disease patients.
Development of a Liquid‐Liquid Biphasic Reaction Using a Taylor Vortex Flow Reactor
Authors: Hosoya Masahiro , Manaka Atsushi , Nishijima Shogo , Tsuno Naoki 
Published: April 2021

AbstractThis paper describes a liquid‐liquid biphasic flow reaction system that is simple to control. In a liquid‐liquid biphasic flow reaction, the slug‐flow in the tube reactors generally improves the reaction rate. However, we show that larger tube diameters decreased the reaction rate and the formation of the slug‐flow was influenced by the tube diameter, the size of the mixer, and the pump mechanism. These results indicated that technical difficulties with the slug‐flow could be an obstacle to scale‐up. To resolve this problem, we suggest the use of a Taylor vortex flow reactor to achieve a higher reaction rate than with batch and slug‐flow systems.
Ethyl‐2‐Cyano‐2‐(2‐Nitrophenylsulfonyloximino)Acetate (ortho‐NosylOXY) Mediated One‐Pot Racemization Free Synthesis of Ureas, Carbamates, and Thiocarbamates via Curtius Rearrangement
Authors: Kalita Tapasi , Dev Dharm , Mondal Sandip , Giri Rajat Subhra , Mandal Bhubaneswar 
Published: April 2021

AbstractDirect conversion of carboxylic acids to ureas, carbamates, and thiocarbamates in a single pot via Curtius rearrangement is accomplished. One recently established coupling reagent, Ethyl‐2‐cyano‐2‐(2‐nitrophenylsulfonyloximino)acetate (ortho‐NosylOXY, I), is successfully used for the racemization free synthesis of ureas, di‐peptidyl ureas, and carbamates with moderate to good yield (82–69%). This single‐pot hassle‐free procedure works with a diverse range of N‐protecting groups Fmoc, Boc, and Cbz. Various amine, including aromatic, methyl esters of amino acids, t‐butylamine, alcohols, and thiols, are used as nucleophiles. A detailed NMR‐based mechanism study is incorporated here. Racemization suppression, easy removal of by‐products, and less waste generation make this methodology useful.
Preclinical animal studies in ischemic stroke: Challenges and some solutions
Authors: Narayan Sunil K. , Grace Cherian Simy , Babu Phaniti Prakash , Babu Chidambaram Saravana , Rachel Vasanthi A. Hannah , Arumugam Murugesan 
Published: April 2021

AbstractDespite the impressive efficacies demonstrated in preclinical research, hundreds of potentially neuroprotective drugs have failed to provide effective neuroprotection for ischemic stroke in human clinical trials. Lack of a powerful animal model for human ischemic stroke could be a major reason for the failure to develop successful neuroprotective drugs for ischemic stroke. This review recapitulates the available cerebral ischemia animal models, provides an anatomical comparison of the circle of Willis of each species, and describes the functional assessment tests used in these ischemic stroke models. The distinct differences between human ischemic stroke and experimental stroke in available animal models is explored. Innovative animal models more closely resembling human strokes, better techniques in functional outcome assessment and better experimental designs generating clearer and stronger evidence may help realise the development of truly neuroprotective drugs that will benefit human ischemic stroke patients. This may involve use of newer molecules or revisiting earlier studies with new experimental designs. Translation of any resultant successes may then be tested in human clinical trials with greater confidence and optimism.
Supramolekulare Bindungstaschen in [n]Cyclo‐2,7‐pyrenylenen
Authors: Grabicki Niklas , Nguyen Khoa T. D. , Weidner Steffen , Dumele Oliver 
Published: April 2021

AbstractEine Reihe gespannter aromatischer Makrozyklen basierend auf [n]Cyclo‐2,7‐(4,5,9,10‐tetrahydro)pyrenylenen wurde an der K‐Region der Pyreneinheit mit Ethylenglykol‐Gruppen funktionalisiert, um im Innenraum des Makrozyklus eine definierte Bindungstasche zu formen. Diese ist für den fünfgliedrigen Makrozyklus besonders ausgeprägt, was zu einer Bindungskonstante von 8.0×104 m−1 zwischen dem Ether‐dekorierten [5]Cyclo‐2,7‐pyrenylen und einem komplementären Kronenether‐Kation‐Komplex führt. Die Ether‐dekorierten [n]Cyclopyrenylene sowie einer der Wirt‐Gast‐Komplexe wurden durch Kristallstrukturanalyse charakterisiert. In Kombination mit computergestützten Berechnungsmethoden wurden die strukturellen und thermodynamischen Hintergründe für die besonders starken nicht‐kovalenten Bindungseigenschaften erklärt. Die hier vorgestellte Strategie zur Formung von Bindungstaschen erschließt die Stoffklasse der Cycloparaphenylene als eine attraktive supramolekulare Wirt‐Familie, die größenunabhängige Ausleseparameter und Bindungseigenschaften über Fulleren‐Gäste hinaus zeigt.
Synthesis of Arylpalladium(II) Boronates: Confirming the Structure and Chemical Competence of Pre‐transmetalation Intermediates in the Suzuki–Miyaura Reaction
Authors: Olding Angus , Ho Curtis C. , Canty Allan J. , Lucas Nigel T. , Horne James , Bissember Alex C. 
Published: April 2021

AbstractPalladium(II) boronates are recognized as fundamental pre‐transmetalation intermediates in Suzuki–Miyaura cross‐couplings. While these typically transient species have been detected and studied spectroscopically, it is conspicuous that they have never been isolated since this important reaction was discovered over forty years ago. This study reports the synthesis of a family of unprecedented arylpalladium(II) boronates that are, by design, kinetically stable at ambient temperature, both in solution and in the solid state. These properties enabled unambiguous crystallographic confirmation of their structure for the first time and their chemical competence in a Suzuki–Miyaura reaction was demonstrated.
Confined Spaces in [n]Cyclo‐2,7‐pyrenylenes
Authors: Grabicki Niklas , Nguyen Khoa T. D. , Weidner Steffen , Dumele Oliver 
Published: April 2021

AbstractA set of strained aromatic macrocycles based on [n]cyclo‐2,7‐(4,5,9,10‐tetrahydro)pyrenylenes is presented with size‐dependent photophysical properties. The K‐region of pyrene was functionalized with ethylene glycol groups to decorate the outer rim and thereby confine the space inside the macrocycle. This confined space is especially pronounced for n=5, which leads to an internal binding of up to 8.0×104 m−1 between the ether‐decorated [5]cyclo‐2,7‐pyrenylene and shape‐complementary crown ether–cation complexes. Both the ether‐decorated [n]cyclo‐pyrenylenes as well as one of their host–guest complexes have been structurally characterized by single‐crystal X‐ray analysis. In combination with computational methods the structural and thermodynamic reasons for the exceptionally strong binding have been elucidated. The presented rim confinement strategy makes cycloparaphenylenes an attractive supramolecular host family with a favorable, size‐independent read‐out signature and binding capabilities extending beyond fullerene guests.
Reduced Arene Complexes of Hafnium Supported by a Triamidoamine Ligand
Authors: Ghana Priyabrata , Schrader Sebastian , Rajeshkumar Thayalan , Spaniol Thomas P. , Englert Ulli , Maron Laurent , Okuda Jun 
Published: April 2021

AbstractA series of hafnium complexes with a reduced arene of the general formula [K(L)][Hf(Xy‐N3N)(arene)] (Xy‐N3N={(3,5‐Me2C6H3)NCH2CH2}3N3−, L=THF, 18‐crown‐6; arene=C10H82−, C14H102−) mimic the chemistry of hafnium in its formal oxidation state +II. All compounds were obtained upon reduction of the chlorido complex [HfCl(Xy‐N3N)(thf)] with two equivalents of potassium naphthalenide or anthracenide. The reducing nature and the basicity of the reduced anthracene ligand were explored in the reaction of benzonitrile and azobenzene, and by deprotonation of tert‐butylacetylene, respectively. The reduction of benzonitrile provides an initial double nitrile insertion product under kinetic control that rearranges after extrusion of one of the inserted nitriles to a hafnium imido complex as the thermodynamic product. The reduction of azobenzene resulted in a diphenylhydrazido(2−) complex. Treatment of terminal alkynes with the anthracene or diphenylhydrazido(2−) complex led to the selective protonation of the corresponding dianionic ligand.
Engineering Nanoparticulate Organic Photocatalysts via a Scalable Flash Nanoprecipitation Process for Efficient Hydrogen Production
Authors: Yu Miaojie , Zhang Weiwei , Guo Zhiqian , Wu Yongzhen , Zhu Weihong 
Published: April 2021

AbstractDirectly converting sunlight into hydrogen fuels using particulate photocatalysts represents a sustainable route for clean energy supply. Organic semiconductors have emerged as attractive candidates but always suffer from optical and exciton recombination losses with large exciton “dead zone” inside the bulk material, severely limiting the catalytic performance. Herein, we demonstrate a facile strategy that combines a scalable flash nanoprecipitation (FNP) method with hydrophilic soluble polymers (PC‐PEG5 and PS‐PEG5) to prepare highly efficient nanosized photocatalysts without using surfactants. Significantly, a 70‐fold enhancement of hydrogen evolution rate (HER) is achieved for nanosized PC‐PEG5, and the FNP‐processed PS‐PEG5 shows a peak HER rate of up to 37.2 mmol h−1 g−1 under full‐spectrum sunlight irradiation, which is among the highest results for polymer photocatalysts. A scaling‐up production of nanocatalyst is demonstrated with the continuously operational FNP.
Tuning biological activity in dinuclear Cu (II) complexes derived from pyrazine ligands: Structure, magnetism, catecholase, antimicrobial, antibiofilm, and antibreast cancer activity
Authors: Ahmad Mohammad Shahwaz , Khalid Mohd , Khan Mohammad Shahnawaz , Shahid Mohammad , Ahmad Musheer , Saeed Haris , Owais Mohammad , Ashafaq Mo 
Published: April 2021

In a thrust to establish a structure–activity relationship of dinuclear Cu (II) complexes for derived biological activities, two complexes bearing composition [Cu2(pza)2(2‐methoxybenzoate)4] (1) and [Cu2(pza)2(3‐methoxybenzoate)4] (2) are designed. The complexes are characterized thoroughly via single crystal X‐ray diffraction (XRD), spectroscopic, and magnetic analysis. The exact structure of complexes was elucidated as dinuclear bridged by carboxylates with Cu (II) in each complex present in a distorted square‐pyramidal geometry. The ortho and meta substituted benzoates are used in order to investigate its effect on catecholase and other biological activities. The magnetic data on variable temperature dispense the presence of moderate antiferromagnetic interactions in both the complexes with J = −88.7(2) cm−1, R = 2.13 × 10−4 for 1 and J = −86.3(2) cm−1, R = 3.11 × 10−4 for 2 (g = 2.0). As corroborated from UV–visible titrations, cyclic voltammetry (CV), and Electron paramagnetic resonance (EPR) data, the 2 shows enhanced catecholase activity due to higher redox‐active Cu (II) center in 2, which is directly related to the inductive effect of the methoxy substituent. Both the complexes were screened against some bacteria and fungi, and 2 has shown potent activity Escherichia coli. Moreover, the complexes have also shown better antibiofilm properties as compared to their parent salts. The excellent antibreast cancer activity has been observed against MCF‐7 cell line and, 2has greater IC50 (lower activity) than 1. Thus, a structure–activity relationship can further direct us to design other substituted complexes with enhanced biological activity in the future course.
A multi‐objective optimal insulin bolus advisor for type 1 diabetes based on personalized model and daily diet
Authors: Fakhroleslam Mohammad , Bozorgmehry Boozarjomehry Ramin 
Published: April 2021

AbstractWe proposed a personalized bolus advisor for patients with type 1 diabetes (T1D). A bolus advisor is a decision support system that recommends insulin doses based on an open‐loop model‐based optimization. To construct the bolus advisor, the optimal open‐loop control of blood glucose (BG) concentration in T1D patients was represented as a multi‐objective optimization problem. The insulin types, doses, and times for each injection were provided by the bolus advisor based on a personalized model and an average daily diet, which should be re‐tuned frequently in specific time intervals. The constructed personalized model for T1D patients incorporates effects of the patient's age and body weight. Two treatment schemes using three types of insulin (regular, lispro, and NPH) were investigated. The proposed bolus advisor was tested in silico on three virtual patients with different ages (from 9 to 50 years old) and body weights (from 28 to 100 kg) considering ±40% under‐ and over‐eating scenarios. The fluctuations in blood glucose and insulin levels are obviously wider in younger virtual subjects, which is showing the difficulties of the BG control problem in younger patients.
Influence of elastin on the properties of hybrid PCL/elastin scaffolds for tissue engineering
Authors: Sánchez‐Cid Pablo , Perez‐Puyana Victor , Jiménez‐Rosado Mercedes , Guerrero Antonio , Romero Alberto 
Published: April 2021

AbstractDeveloping scaffolds by combining different polymers in order to improve the properties of the bare polymers has become an extensively applied practice. Polycaprolactone (PCL) is a synthetic polyester with outstanding properties for tissue engineering (TE), although it does have certain drawbacks that can be counteracted by combining it with other biopolymers. The biopolymer elastin is an essential functional component of the dermal extracellular matrix. Therefore, the aim of this work was to produce binary systems comprising a combination of PCL (16 wt/vol%) and different concentrations of elastin (2 and 4 wt/vol%) to evaluate how the protein affects the matrix. To this end, the morphological, physicochemical, mechanical and biological properties of the aforementioned scaffolds were further characterized, observing that PCL/elastin is a suitable mixture as it improves the wettability of PCL when combined with elastin (the contact angles were reduced from 102 to ca. 70°). In addition, mixing PCL with a small quantity of elastin (2%) improved the mechanical properties of PCL‐based scaffolds (Young's modulus increased from 36 to 69 MPa and the maximum stress increased from 11 to 34 MPa).
The relationships between spawning horseshoe crabs and egg densities: Recommendations for the assessment of populations and habitat suitability
Authors: Botton Mark L. , Colon Christina P. , Sclafani Matthew , Loveland Robert E. , Elbin Susan , Parkins Kaitlyn 
Published: April 2021

Abstract

Horseshoe crab population sizes and trends have been previously studied using surveys of spawning adults and counts of eggs from surface (top 5 cm) and deep (20 cm) sediment samples. The correlations between surface and deep eggs were studied at two locations, Delaware Bay and Jamaica Bay, USA, and the correlations between egg densities and spawning counts were examined in Jamaica Bay.
There were significantly higher densities of eggs in deep sediments than in surface sediments. Only about 10% of the variability in surface egg density was explained by deep egg density. The numerical patterns between surface and deep eggs were similar between Delaware Bay and Jamaica Bay and across sampling dates.
Nearly 20% of the deep samples in the combined data from Delaware Bay and Jamaica Bay with an egg density of ≥100,000 m−2 had zero surface eggs. Therefore, the use of surface eggs as an indicator of habitat suitability and spawning intensity may seriously underestimate the importance of a beach for spawning horseshoe crabs.
When paired with nearest survey date, Jamaica Bay spawning indices did not predict deep or surface egg densities. This may be related to a temporal mismatch between survey methods, the extreme overdispersion (patchiness) of the eggs, and/or the dynamics of egg distribution after exhumation.
Both egg density and spawning surveys can provide useful data on habitat suitability for horseshoe crabs and can offer excellent opportunities for student and citizen scientist engagement. More labour is required for egg surveys than spawning surveys because of the time required to sample, sort, and enumerate the eggs.