bluuebunny/crossref_metadata_2025_split huggingface dataset:
Isolation and Reactivity of Tetrylene‐Tetrylone‐Iron Complexes Supported by Bis(N‐Heterocyclic Imine) Ligands
Authors: Zhao Xuan‐Xuan , Szilvási Tibor , Hanusch Franziska , Kelly John A. , Fujimori Shiori , Inoue Shigeyoshi 
Published: August 2022

AbstractThe germanium iron carbonyl complex3was prepared by the reaction of dimeric chloro(imino)germylene [IPrNGeCl]2(IPrN=bis(2,6‐diisopropylphenyl)imidazolin‐2‐iminato) with one equivalent of Collman's reagent (Na2Fe(CO)4) at room temperature. Similarly, the reaction of chloro(imino)stannylene [IPrNSnCl]2with Na2Fe(CO)4(1 equiv) resulted in the Fe(CO)4‐bridged bis(stannylene) complex4. We observed reversible formation of bis(tetrylene) and tetrylene‐tetrylone character in complexes3vs.5and4vs.6, which was supported by DFT calculations. Moreover, the Li/Sn/Fe trimetallic complex12has been isolated from the reaction of [IPrNSnCl]2with cyclopentadienyl iron dicarbonyl anion. The computational analysis further rationalizes the reduction pathway from these chlorotetrylenes to the corresponding complexes.
Unravelling the Mechanistic Pathway of the Hydrogen Evolution Reaction Driven by a Cobalt Catalyst
Authors: Jiang Bing , Gil‐Sepulcre Marcos , Garrido‐Barros Pablo , Gimbert‐Suriñach Carolina , Wang Jia‐Wei , Garcia‐Anton Jordi , Nolis Pau , Benet‐Buchholz Jordi , Romero Nuria , Sala Xavier , Llobet Antoni 
Published: August 2022

AbstractA cobalt complex bearing a κ‐N3P2 ligand is presented (1+ or CoI(L), where L is (1E,1′E)‐1,1′‐(pyridine‐2,6‐diyl)bis(N‐(3‐(diphenylphosphanyl)propyl)ethan‐1‐imine). Complex 1+ is stable under air at oxidation state CoI thanks to the π‐acceptor character of the phosphine groups. Electrochemical behavior of 1+ reveals a two‐electron CoI/CoIII oxidation process and an additional one‐electron reduction, which leads to an enhancement in the current due to hydrogen evolution reaction (HER) at Eonset=−1.6 V vs Fc/Fc+. In the presence of 1 equiv of bis(trifluoromethane)sulfonimide, 1+ forms the cobalt hydride derivative CoIII(L)‐H (22+), which has been fully characterized. Further addition of 1 equiv of CoCp*2 (Cp* is pentamethylcyclopentadienyl) affords the reduced CoII(L)‐H (2+) species, which rapidly forms hydrogen and regenerates the initial CoI(L) (1+). The spectroscopic characterization of catalytic intermediates together with DFT calculations support an unusual bimolecular homolytic mechanism in the catalytic HER with 1+.
Efficient Synthesis of Multiply Seven‐Membered‐Ring Fused Porphyrins by Rhodium‐Catalyzed [5+2] Annulation
Authors: Shu Hui , Guo Mengjie , Wang Machongyang , Zhou Mingbo , Zhou Bixiang , Xu Ling , Rao Yutao , Yin Bangshao , Osuka Atsuhiro , Song Jianxin 
Published: August 2022

AbstractRhodium‐catalyzed reaction of meso‐pyrrol‐2‐yl NiII porphyrins with internal alkynes proceeded smoothly to give singly, doubly, and quadruply seven‐membered‐ring fused NiII porphyrins as the first example of [5+2] annulation reaction for porphyrin substrates, where the meso‐appended pyrrole unit serves as a directing group. These reactions are operationally quite simple and easy. A plausible reaction mechanism was proposed on the basis of the isolation of a key intermediate. The structures of the representative products have been revealed to be considerably bent owing to the implemented seven‐membered rings. Doubly fused ZnII and NiII porphyrins possessing an unsubstituted meso‐position were dimerized to meso‐meso linked dimers by aerobic oxidation with Zn(OAc)2⋅2 H2O and electrochemical oxidation, respectively. The optical and electrochemical highest occupied molecular orbital (HOMO)–lowest unoccupied molecular orbital (LUMO) gaps, as well as the aromatic characters of the fused porphyrins decrease as the fusion parts increases.
User‐friendly point of care test device for detection of arsenic in potable water: Prototype, design, and artifact
Authors: Ravula Rajasekhar , Bhabak Krishna Pada , Mandal Tapas K. 
Published: August 2022

AbstractArsenic, a common pollutant, harms human health, and its WHO's permissible is 10 μg/L in drinking water. This research aimed to develop a paper‐based point of care test (POCT) device for rapid detection of arsenic with a concentration of ~10 μg/L in potable water. In this, arsenic was converted to arsine gas, which was identified by a paper sensor by producing a characteristic color due to specificity of the reaction. The sensor was constructed by impregnating gold chloride (NaAuCl4) on a paper strip. The device had a very good response time, nearly 4 and 2 min for arsenic concentrations of (10–20) and above 20 (20–500) μg/L, respectively. The device also gave decent results for the field samples like river and groundwater. The device could be used for both qualitative and quantitative assays. ImageJ software was used for quantitative estimation, which accorded with atomic absorption spectroscopy (AAS) results.
Comparison of physical and mechanical properties of biodegradable polybutylene adipate terephthalate, polycaprolactone, and poly(lactic acid) fabricated via fused deposition modeling and conventional molding
Authors: Mohd Sabee Mohd Meer Saddiq , Ahmad Tajuddin Nurul Nabilah Izzah , Ku Ishak Ku Marsila , Rusli Arjulizan , Abdullah Muhammad Khalil , Shafiq Mohamad Danial , Shuib Raa Khimi , Abdul Hamid Zuratul Ain 
Published: August 2022

AbstractThe research work aims to compare the physical and mechanical properties of biodegradable polybutylene adipate terephthalate (PBAT), polycaprolactone (PCL), and poly(lactic acid) (PLA) fabricated via fused deposition modeling (FDM) and conventional compression molding (CM) method. It was found that the thermal stability was comparable for sample fabricated using both techniques. The percentage difference for the density measurement was 7.4%. The water absorption of FDM samples was about 75.5% higher compared to those fabricated using the CM due to higher porous structures obtained. The results also showed that the FDM did not significantly affect the materials' crystallinity, however the flowability increases by 25.2%. The tensile strength, tensile modulus, elongation at break (Eb), impact strength, and water contact angle of FDM samples were approximately 25.5%, 25.0%, 46.4%, 50.3%, and 20.7% lower compared to the CM samples.
Recent Advances in TiO2‐based Photoanodes for Photoelectrochemical Water Splitting
Authors: Zhang Xiaoyan , Zhang Shengqi , Cui Xiaoli , Zhou Wei , Cao Weimin , Cheng Danhong , Sun Yi 
Published: August 2022

AbstractPhotoelectrochemical (PEC) water splitting has attracted great attention in the past several decades as it holds great promise to address global energy and environmental issues by converting solar energy into hydrogen. However, its low solar‐to‐hydrogen (STH) conversion efficiency remains a bottleneck for practical application. Developing efficient photoelectrocatalysts with high stability and high STH conversion efficiency is one of the key challenges. As a typical n‐type semiconductor, titanium dioxide (TiO2) exhibits high PEC water splitting performance, especially high chemical and photo stability. But, TiO2has also disadvantages such as wide band gap and fast electron‐hole recombination rate, which seriously hinder its PEC performance. This review focuses on recent development in TiO2‐based photoanodes as well as some key fundamentals. The corresponding mechanisms and key factors for high STH, and controllable synthesis and modification strategies are highlighted in this review. We conclude finally with an outlook providing a critical perspective on future trends on TiO2‐based photoanodes for PEC water splitting.
Full‐state prescribed performance pose tracking of space proximity operations with input saturation
Authors: Wang Jun , Sun Liang , Jiang Jingjing 
Published: August 2022

AbstractThis paper investigates the relative position tracking and attitude synchronization control for spacecraft close‐range proximity missions with input saturation and model uncertainties. A robust saturated relative motion controller is proposed for this purpose. Prescribed performance functions are designed to guarantee the transient and steady‐state response of the system and the full‐state constraints. Then, a nonlinear disturbance observer is developed to estimate the lumped disturbance that comprises the effects of parametric uncertainties and kinematic couplings. At the same time, a linear compensator system is incorporated into the controller design to deal with the control input saturation. Finally, it can be proved via the Lyapunov theory that the closed‐loop system is uniformly ultimately bounded stable. Simulation results on the spacecraft close‐range rendezvous and docking mission validate the effectiveness of the proposed control approach.
The prognostic significance of early blood neurofilament light chain concentration and magnetic resonance imaging variables in relapse‐onset multiple sclerosis
Authors: Williams Thomas , Heslegrave Amanda , Zetterberg Henrik , Miszkiel Katherine A , Barkhof Frederik , Ciccarelli Olga , Brownlee Wallace J , Chataway Jeremy 
Published: August 2022

AbstractBackgroundImproved prognostication remains vital in multiple sclerosis to inform personalized treatment approaches. Blood neurofilament light (bNfL) is a promising prognostic biomarker, but to what extent it provides additional information, independent of established MRI metrics, is yet to be established.MethodsWe obtained all available bNfL data for 133 patients from a longitudinal observational cohort study. Patients were dichotomized into good or poor outcome groups based upon clinical and cognitive assessments performed 15 years after a clinically isolated syndrome. We performed longitudinal modeling of early NfL and MRI variables to examine differences between outcome groups.ResultsThe bNfL dataset was incomplete, with one to three (mean 1.5) samples available per participant. Within 3 months of onset, bNfL was similar between groups. The bNfL concentration subsequently decreased in those with a good outcome, and remained persistently elevated in those with a poor outcome. By year 5, NfL in the poor outcome group was approximately double that of those with a good outcome (14.58 [10.40–18.77] vs. 7.71 [6.39–9.04] pg/ml, respectively). Differences were reduced after adjustment for longitudinal changes in T2LV, but trends persisted for a greater rate of increase in NfL in those with a poor outcome, independent of T2LV.ConclusionsThis analysis requires replication in cohorts with more complete bNfL datasets, but suggests that persistently elevated blood NfL may be more common in patients with a poor long‐term outcome. Persistent elevation of blood NfL may provide additional prognostic information not wholly accounted for by standard monitoring techniques.
Research, standards, and data needs for industrialization of ceramic direct ink writing
Authors: Allen Andrew J. , Levin Igor , Maier Russell A. 
Published: August 2022

AbstractHere, we summarize a panel discussion on the direct ink writing (DIW) of ceramics, organized and moderated by the National Institute of Standards and Technology at the American Ceramic Society's 46th International Conference on Advanced Ceramics and Composites in January 2022. The panel reviewed the current state of the art in DIW, focusing on research directions, standards development, and data needs required to facilitate industrial adoption of these technologies. The panel agreed to form working groups for (1) exploring how the community can work together to develop and curate public databases of feedstock characteristics and properties of end‐products and (2) organizing an international round‐robin to compare performance properties of DIW‐manufactured ceramics, potentially tied to ASTM/ISO standards development.
Metal–organic frameworks in chiral separation of pharmaceuticals
Authors: Dhurjad Pooja , Dhalaram Choudhary Sampat , Ali Nazish , Kumari Nikita , Sonti Rajesh 
Published: August 2022

AbstractStereoselective chiral molecules are responsible for specific biological functions in nature. At present, more than half of the prescribed drugs are chiral. Living organisms display divergent pharmacological responses to the enantiomers, leading to altered toxicity, pharmacokinetics, and pharmacodynamics. Thus, chiral analysis, separation, and extraction are crucial for ensuring enantiomeric purity to develop safe and effective medication. In recent times, metal–organic frameworks (MOFs) with appealing structures are gaining importance because of their fascinating properties as a sorbent and stationary phase. MOFs are crystalline porous solid materials built by interconnecting metal ions or clusters and organic linkers. This review explores the advancements in MOFs for the isolation and separation of chiral active pharmaceutical drugs.
Improved mayfly optimization deep stacked sparse auto encoder feature selection scorched gradient descent driven dropout XLM learning framework for software defect prediction
Authors: Anbu M. 
Published: August 2022

SummarySoftware testing is the process of improving software quality by classifying and removing defects in the software development. Previously, several methods were used for software defect prediction, but any one method did not provide sufficient accuracy. To overcome this issue, an improved may fly optimization with deep stacked sparse auto encoder feature selection scorched gradient descent driven dropout extreme learning machine framework (SDP‐IMFOFS‐GDDDXLMC) is proposed in this article for software defect prediction. Here, an IMFO method is considered for feature selection techniques. In feature selection technique, features are selected, such as PC1, PC4, and MC1 for selecting the probable minimal attribute. Then, GDDDXLMC approach is used to classify buggy and clean software detection. The proposed approach is implemented in MATLAB platform. The performance metrics, such as accuracy, precision, F‐measure, sensitivity, specificity, Mathew correlation coefficient (MCC) is examined to examine the performance of the proposed method. The simulation performance of the proposed SDP‐IMFOFS‐GDDDXLMC method attains higher accuracy 99.75%, 97.85%, 95.13%, 14.89%, 16.34%, 17.89%, and 98.79, higher sensitivity 96.34%, 91.23%, 89.12%, 12.67%, 17.56%, 18.90%, and 87.25% higher specificity 14.89%, 16.89%, 20.67%, 93.67%, 92.37%, 98.47%, and 94.78% compared with the existing methods, like SDP‐MLP‐PSO, SDP‐BPNN‐RBFNN, SDP‐CNN‐RNN‐LSTM, SDP‐KBN‐LIME, SDP‐SLDeep‐LSTM, SDP‐K‐PCA‐ELM, and SDP‐CNN‐PHI forest, respectively.
The dark side of Section 63(3b) of the Labour Act (Chapter 28:01): The perspective of the stakeholders
Authors: Ndhlovu Pilot , Ndhlovu Provilence 
Published: August 2022

AbstractThis article sought to investigate the untold story of section 63(3b) of the Labour Act, Chapter 28:01 of Zimbabwe. A qualitative approach was used in this study. The purposive sampling method was used to select 30 participants. Semi‐structured interviews were utilized to collect primary data from Zvishavane – Mberengwa area in the Midlands Province. The study established that employers have become knowledgeable of the Labour Act and are thus sidelining the Labour Officer for Designated Agents at the employees' expense. The research established that employees who are less favored by the set‐up feel like Labour Officers are letting them down. The study revealed that section 63(3b) of the Labour Act was defeating the whole purpose of the act as it was only benefiting employers. Section 63(3b) of the Labour Act does not promote social justice and democracy as provided for in section 2A of the Labour Act. However, it was recommended that National Employment Councils should not deploy a Designated Agent in the first place if they are not able to deploy them in every district like what the government does on its Labour Officers. It was also recommended that the government and policymakers should consider amending the Labour Act, especially on the issue of jurisdiction; otherwise, the system will continue to suffocate one side.
Short‐stature maize reduced wind damage during the 2020 midwestern derecho, improving yields and greenhouse gas outcomes
Authors: Barten Ty J. , Kosola Kevin R. , Dohleman Frank G. , Eller Magen , Brzostowski Lillian , Mueller Steffen , Mioduszewski John , Gu Chiyu , Kashyap Subash , Ralston Lyle , Renaud Alexandar , Hall Mike , Mack David , Gillespie Kelly 
Published: August 2022

AbstractFuture agricultural systems will need to become more resilient as climate change impacts increase. One expected outcome of climate change is an increase in severe thunderstorms with high velocity straight line winds. In August 2020, a derecho, a cluster of thunderstorms generating high‐speed prolonged‐duration straight line winds, swept through Iowa and Illinois in the north central U.S. Corn Belt. Damage estimates from the derecho range up to US$11.2 billion, with significant impacts to crops, stored grain, and property throughout its path. Fourteen field locations of short‐statured maize research hybrids were growing within the path of the derecho, where data was collected on their lodging damage resistance compared with isogenic and near isogenic tall counterparts. For short‐stature maize, an average of 25% of plants were damaged, compared with 50% for isogenic tall hybrids (across all locations; p = .0009). This decreased lodging damage was associated with a mean estimated yield advantage of 1.57 t ha–1 for short‐stature maize across the breadth of the storm (p = .0011). Economic and environmental models indicated that planting short‐stature maize hybrid across the storm area could have prevented the loss of approximately $938 million in revenue and 1.48 million metric tons of CO2 equivalents.
Sequential evaluation of MUC promoter methylation using next‐generation sequencing‐based custom‐made panels in liquid‐based cytology specimens of pancreatic cancer
Authors: Yokoyama Sieya , Iwaya Hiromichi , Akahane Toshiaki , Hamada Taiji , Higashi Michiyo , Hashimoto Shinichi , Tanoue Shiroh , Ohtsuka Takao , Ido Akio , Tanimoto Akihide 
Published: August 2022

AbstractBackgroundAs liquid‐based cytology (LBC) specimens preserve high‐quality DNA, clinical sequencing of LBC specimens using next‐generation sequencing (NGS) is becoming a common strategy. This study aimed to evaluate the feasibility of NGS‐based custom‐made panels for evaluating MUC promoter methylation in LBC specimens.MethodsThirty‐one patients with pancreatic cancer were enrolled in the study. Cancer tissue samples were obtained using endoscopic ultrasound‐guided fine‐needle aspiration/biopsy (EUS‐FNA/FNB). LBC, formalin‐fixed paraffin‐embedded (FFPE), and fresh frozen specimens were prepared for DNA extraction after pathological diagnosis. These specimens were then subjected to NGS analysis using custom‐made cancer gene screening and methylation panels comprising 28 cancer‐related genes and 13 gene promoter regions, including MUC1, MUC2, and MUC4.ResultsThe success rate of NGS using the cancer gene panel was comparable among the LBC, FFPE, and frozen specimens, and the presence of cancer cell‐derived somatic mutations in each specimen was confirmed. The specimens were then tested using a methylation panel that revealed the sequential methylation status of CpG islands located in the promoter regions of MUC genes. The methylation status results obtained from LBC specimens were almost comparable with those from FFPE and frozen specimens.ConclusionsMUC and other gene methylation analyses using an NGS‐based panel were successfully performed in residual LBC specimens obtained by EUS‐FNA/FNB. Therefore, this approach provides an alternative source of molecular tests for gene mutations and methylation, especially in the pancreatic cancers, which are often unresectable and unsuitable for obtaining FFPE specimens.
Development of an intention estimation model based on gaze and face information for electric wheelchair operation support
Authors: Higa Sho , Yamada Koji , Kamisato Shihoko 
Published: August 2022

AbstractIn recent years, various user interfaces have been developed to meet the diverse needs of physically disabled persons. In this paper, we developed a method to identify gazing and facial movements based on gaze time and eye/face information and developed an electric wheelchair that can be operated with the user's natural gazing and facial movements. This intention estimation model is composed of 1DCNN and LSTM layers. First, 1DCNN is used to extract features from gaze and face information, and then the extracted features are input to LSTM to estimate the user's intentions regarding movement. The evaluation experiments suggest that the combination of gaze and face information improves the estimation accuracy and contributes to the classification. Furthermore, it was confirmed that adding a convolutional filter layer to the LSTM layer improved the accuracy.
Proposal of circuit configuration to reduce power supply voltage and circuit scale for CMOS exponentiation conversion IC utilizing weak inversion operation
Authors: Matsui Fumiya , Nishiyama Naoya , Sano Yuji 
Published: August 2022

AbstractWe proposed elemental technique for reducing power supply voltage and circuit scale for CMOS exponentiation conversion IC utilizing weak inversion operation to mount it on microcomputer chip. This IC implements to change the power exponent to any value by amplifying with adjusting gain after converting signal logarithmically, and finally converting it exponentially. We showed that the circuit scale can be reduced to several tenth times in order to generate a weak inversion current by cascading multiple stages of current‐dividing current mirror circuits. Due to this current mirror circuit, circuit scale was reduced to 34.4%. We also proposed an exponential converting circuit that can halve the input voltage by using one pair of weak inversion MOSFETs. However, the proposed control method of the exponential value by utilizing the substrate effect was found to have about 8% of narrow control range. Although measured result shows that this IC does exponentiation conversion, power exponent value was 56% smaller than simulation result.
Comparative Effect of Amino Functionality on the Performance of Isostructural Mixed‐Ligand MOFs towards Multifunctional Catalytic Application
Authors: Parmar Bhavesh , Patel Parth , Bhadu Gopala Ram , Suresh Eringathodi 
Published: August 2022

AbstractTwo isostructural MOFs {[Cd(BDC)(L)] ⋅ CH3OH}n (1) and {[Cd(NH2‐BDC)(L)] ⋅ CH3OH}n (1‐NH2) involving Cd metal center and different dicarboxylate ligands (1,4‐benzenedicarboxylate (BDC) in 1 and 2‐amino‐1,4‐benzenedicarboxylate (NH2‐BDC) in 1‐NH2) and a common amide functionalized N‐donor ligand ((E)‐N′‐(pyridin‐3‐ylmethylene)nicotinohydrazide (L)) has been synthesized in bulk by diverse routes with phase‐purity. The MOFs were characterized by spectroscopic methods such as FT‐IR, elemental, TGA analysis, PXRD, and SXRD analysis. Amide functionality of L in 1 and both amide/‐NH2 functional groups attached to the ligands in 1‐NH2 of the interpenetrated isostructural 3D framework has been found to be catalytically active basic site towards multiple organic transformations. Both 1 and 1‐NH2 showed good catalytic activity towards both CO2‐epoxide cycloaddition and Biginelli reaction. A comparative study of the catalytic activity of 1 and 1‐NH2 for cycloaddition and Biginelli reaction revealed that the amine‐functionalized framework 1‐NH2 showed better catalytic performance than 1 due to the existence of additional amino site. Presence of accessible functionally decorated Lewis basic ‐NH2 and amide sites on BDC and N‐donor ligands of 1‐NH2 synergistically activate the substrate making this framework interesting and efficient heterogeneous base catalyst. Excellent product yield under moderate conditions with reusability is the highlight in both catalytic reactions.