bluuebunny/crossref_metadata_2025_split huggingface dataset:
Pyridine Iodine(I) Cations: Kinetic Trapping as a Sulfonate Complexes
Authors: Puttreddy Rakesh , Kumar Parveen , Rissanen Kari 
Published: January 2024

AbstractSeven pyridine iodine(I) sulfonate complexes were prepared and isolated at low temperatures and characterized by X‐ray diffraction analysis. The inherently instable pyridine iodine(I) cations are stabilized by an oxygen of sulfonate anions via the I⋅⋅⋅O halogen bond. In these complexes, the iodine atom of the pyridine iodine(I) cation acts as an electron acceptor and the sulfonate oxygen as the electron donor. These complexes are stable enough in the crystalline state, yet decompose rapidly under ambient conditions, also being unstable in solution. The (pyridine)N−I bond lengths [2.140(3)–2.197(2) Å] and the I⋅⋅⋅O halogen bonds [2.345(6)–2.227(3) Å] are analogous to (imide)N−I⋅⋅⋅O−N‐pyridine uncharged halogen‐bonded complexes formed from N‐haloimides and pyridine N‐oxides, thus confirming the existence of elusive pyridine iodine(I) cation.
Reduced mechanisms for methanol oxidation under hydrothermal flames using a directed relation graph with sensitivity analysis and error propagation
Authors: Rong Weiqing , Yan Shijing , Zhang Fengming , Qiu Yuxin 
Published: January 2024

AbstractA revised detailed mechanism (RDM) including 173 species and 1011 reactions for methanol oxidation under hydrothermal flames is developed via modifying a methanol gas‐phase combustion mechanism with pressure and thermodynamic corrections and validated with experimental data. Different skeletal mechanisms are generated via the directed relation graph (DRG), the DRG with error propagation (DRGEP), the DRG with sensitivity analysis (DRGSA), and the DRGEP with sensitivity analysis methods. Although the skeletal mechanisms have different reaction paths, the evolutions of the main species in the RDM are generally reproduced. The most compact mechanism of 12 species and 35 reactions is obtained via the DRGSA method with an error of 7.59%. The temperatures of hydrothermal flames predicted from the skeletal mechanisms with different reduction methods agree well with those from the RDM within most operating ranges except the 12‐species mechanism under hypoxic conditions. The increase in the reduction degree increases the error of the ignition delay time, while the reduced mechanisms have better adaptability in predicting the ignition delay time at higher preheating temperatures. The increases of preheating temperature and methanol concentration decrease the error in the prediction of the laminar flame speed with the reduced mechanisms. Moreover, the mechanisms with different reduction degrees have little effect on the extinction temperature, with an error of 4–8°C.
Experimental study on CO2 capture using 2‐(2‐aminoethylamino)ethanol/N,N‐diethyl‐ethanolamine/sulfolane phase‐change absorbents
Authors: Meng Wan , Xiao Lingyu , Wang Liwang , Hu Yaoming , Ding Chuanbao , Jing Jiaxin , Ma Liang 
Published: January 2024

AbstractChemical absorption is currently the most mature carbon capture technology, but it has high energy consumption. Phase change absorbents have great potential for reducing energy consumption. In this paper, an attempt is made to combine the commonly used organic phase splitter and physical phase splitter to explore the comprehensive performance of the absorber under the joint action of the two. Hydroxyethyl ethylenediamine (AEEA) was used as the active amine, N,N‐diethylethanolamine (DEEA) as the organic phase splitter, and sulfolane as the physical phase splitter. Different molar ratios of the three reagents were carried out to screen out the combinations with superior split‐phase effects, and the absorption and desorption characteristics of the combination of AEEA/DEEA/sulfolane were investigated in terms of absorption performance, desorption performance, cycling performance, and physical parameters. The results showed that the combination of 2 M AEEA/1 M DEEA/4 M sulfolane was the most advantageous, with an absorption load up to 2.17 mol/L, a volume of the rich phase accounting for about 64%, an initial absorption rate up to 0.1756 mol · L−1 · min−1, a desorption rate of 75.5% at the desorption temperature of 393.15 K, and the rich‐phase viscosity had a great advantage over the other molar ratio combinations. The changes of the components before and after phase separation were analyzed by 13C NMR to investigate the phase separation mechanism, and the five repeated cycle tests showed that the absorption load was stable, the desorption capacity was strong, and the phase separation performance was good.
Comparative study of degradation of pharmaceutical and personal care products in wastewater by advanced oxidation processes: Fenton, UV/H2O2, UV/TiO2
Authors: Ustun Odabasi Sevde , Buyukgungor Hanife 
Published: January 2024

AbstractIn conventional wastewater treatment plants, micropollutants mix with the aquatic environment because they cannot be removed entirely due to their nonbiodegradable structure. Advanced oxidation processes can be considered an alternative solution to this problem. In this study, five different pharmaceutical and personal care products, carbamazepine, diclofenac, ibuprofen, paracetamol, and triclosan, which are commonly found in aquatic environments, were selected as target pollutants. The removal of these target pollutants was investigated using advanced oxidation methods such as the Fenton and UV processes (UV, UV/H2O2, and UV/TiO2). The feasibility of processes in terms of cost was investigated. In the study, both initial and final pharmaceutical concentrations were measured using liquid chromatography mass spectrometry/mass spectrometry to accurately calculate removal efficiency. It has been determined that processes other than the UV process have removal efficiency >99.9%. The UV process showed removal efficiency of 40% for carbamazepine, 90% for diclofenac, 85% for ibuprofen, 86% for paracetamol and 85% for triclosan. Among the processes with high removal efficiency, the Fenton process has been integrated into wastewater treatment plants and has been shown to be the most suitable system in terms of both performance and cost in solving the micropollutant problem.
Selective CO2 Photoreduction Enabled by Water‐stable Cu‐based Metal‐organic Framework Nanoribbons
Authors: Zhao. Yuan , Chen Runhua , Luo Jingchen , Zhu Juncheng , Wu Yang , Qiao Panzhe , Yan Wensheng , Pan Yang , Zhu Junfa , Zu Xiaolong , Sun Yongfu 
Published: January 2024

AbstractThe goal of photocatalytic CO2 reduction system is to achieve near 100 % selectivity for the desirable product with reasonably high yield and stability. Here, two‐dimensional metal‐organic frameworks are constructed with abundant and uniform monometallic active sites, aiming to be an emerged platform for efficient and selective CO2 reduction. As an example, water‐stable Cu‐based metal–organic framework nanoribbons with coordinatively unsaturated single CuII sites are first fabricated, evidenced by X‐ray diffraction patterns and X‐ray absorption spectroscopy. In situ Fourier‐transform infrared spectra and Gibbs free energy calculations unravel the formation of the key intermediate COOH* and CO* is an exothermic and spontaneous process, whereas the competitive hydrogen evolution reaction is endothermic and non‐spontaneous, which accounts for the selective CO2 reduction. As a result, in an aqueous solution containing 1 mol L−1 KHCO3 and without any sacrifice reagent, the water‐stable Cu‐based metal–organic framework nanoribbons exhibited an average CO yield of 82 μmol g−1 h−1 with the selectivity up to 97 % during 72 h cycling test, which is comparable to other reported photocatalysts under similar conditions.
2‐step lignin‐first catalytic fractionation with bifunctional Pd/ß‐zeolite catalyst in a flow‐through reactor
Authors: Kramarenko A. , Uslu A. , Etit D. , D'Angelo F. Neira 
Published: January 2024

AbstractThis work demonstrates an additive and hydrogen‐free 2‐step lignin‐first fractionation in flow‐through. First, solvolytic delignification renders lignin liquors with its native chemical structure largely intact; and second, ß‐zeolite catalytic depolymerization of these liquors leads to similar monomer yields as the corresponding 1‐step fractionation process. Higher delignification temperatures lead to slightly lower ß−O−4 content in the solvated lignin, but does not affect significantly the monomer yield, so a higher temperature was overall preferred as it promotes faster delignification. Deposition of Pd on ß‐zeolite resulted in a bifunctional hydrogenation/dehydration catalyst, tested during the catalytic depolymerization of solvated lignin with and without hydrogen addition. Pd/ß‐zeolite displays synergistic effects (compared to the Pd/γ‐Al2O3 and ß‐zeolite tested individually and as a mixed bed), resulting in higher monomer yield. This is likely caused by increased acidity and the proximity between the metallic and acid active sites. Furthermore, different ß‐zeolite with varying SAR and textural properties were studied to shed light onto the effect of acidity and porosity in the stabilization of lignin monomers. While some of the catalysts showed stable performance, characterization of the spent catalyst reveals Al leaching (causing acidity loss and changes in textural properties), and some degree of coking and Pd sintering.
Rapid Lignin Thermal Property Prediction through Attenuated Total Reflectance‐Infrared Spectroscopy and Chemometrics
Authors: Riddell Luke A. , Lindner Jean‐Pierre B. , de Peinder Peter , Meirer Florian , Bruijnincx Pieter C. A. 
Published: January 2024

AbstractTo expedite the valorisation of lignin as a sustainable component in materials applications, rapid and generally available analytical methods are essential to overcome the bottleneck of lignin characterisation. Where features of a lignin's chemical structure have previously been found to be predicted by Partial Least Squares (PLS) regression models built on Infrared (IR) data, we now show for the first time that this approach can be extended to prediction of the glass transition temperature (Tg), a key physicochemical property. This methodology is shown to be convenient and more robust for prediction of Tg than prediction through empirically derived relationships (e. g., Flory‐Fox). The chemometric analysis provided root mean squared errors of prediction (RMSEP) as low as 10.0 °C for a botanically, and a process‐diverse set of lignins, and 6.2 °C for kraft‐only samples. The PLS models could separately predict both the Tg as well as the degree of allylation (%allyl) for allylated lignin fractions, which were all derived from a single lignin source. The models performed exceptionally well, delivering RMSEP of 6.1 °C, and 5.4 %, respectively, despite the conflicting influences of increasing molecular weight and %allyl on Tg. Finally, the method provided accurate determinations of %allyl with RMSEP of 5.2 %.
Anodic Oxidation of Methanol to Formaldehyde Synergizing with a Br‐/Br2 Redox‐Mediated Chemical Route to Produce Methyl Formate
Authors: Wang Ke‐An , Wang Zhen‐Long , Zhu Hai‐Bin 
Published: January 2024

AbstractMethyl formate (MF) is one of the most important chemical commodities, which has a wide range of applications. Due to environmental friendliness, mild reaction conditions, and easy operations, electrosynthesis of MF has garnered increasing attention in recent years. In this work, we reported an electrosynthesis route toward MF in a halide‐containing methanol solution. The thorough mechanistic investigations point out that electrosynthesis of MF is accomplished by instant reaction between aldehyde from anodic methanol oxidation, and methoxy bromide (CH3OBr) that is in‐situ generated by reaction of Br2 from anodic oxidation of Br− with methoxide (CH3O−) from cathodic reduction of methanol. This method features high atomic economy only producing valuable MF and hydrogen gas, and shows distinct advantages compared to the reported MF electrosynthesis methods. Even at 200 mA/cm2, the faradaic efficiency (FE) of MF remains consistently around 60 % at the anode while a 100 % FE hydrogen gas is produced at the cathode.
A new flux and multilevel hysteresis torque band DTC with lookup table‐based switched reluctance motor drive to suppress torque ripple
Authors: M Deepak , G Janaki 
Published: January 2024

SummaryThe switched reluctance motor (SRM) is a prominent electrical machine drive with low cost and good performance in different drive applications. This machine's main drawbacks are torque ripple and flux ripple. However, the existing SRM‐operated direct torque control (DTC) Voltage vectors (VVs) give high torque ripples due to improper sector division and minimum selection of VVs switching states. On the other hand, a two‐level hysteresis torque band can result in torque ripples. Therefore, this paper proposed DTC using 16 partitions, active small and large VVs, and a multilevel hysteresis torque band (MHTB) strategy to mitigate the torque ripple further. More active VVs (i.e., 16) are employed in the modified sector‐based switching tables, suppressing the torque ripples. The proposed strategy is verified and validated using MATLAB/Simulink. The detailed result discusses the response of torque, flux, and speed of SRM. The DTC‐operated SRM drive experimental results prove the effective minimization of torque ripples in the proposed DTC compared to the existing DTC.
Multiphase digital integration constant on‐time–controlled Buck converter with high‐resolution current balance scheme for ultrafast load transient
Authors: Li Lingyun , Xu Shen , Liu Yujie , Sun Weifeng 
Published: January 2024

SummaryIn this paper, a multiphase digital control called digital integration constant on‐time (DICOT) control is proposed, which applies the concept of signal accumulation, solves the drawbacks of ripple‐based digital COT control that the switching frequency and transient performance are affected by the A/D sample delay and sampling noise. Besides, the multiphase interleaving approach of the proposed DICOT control is well‐suitable for digital control and no higher calculation frequency is required compared to single‐phase. In the aspect of the current balance, almost all existing researches work on analog COT current balance scheme and few works are investigating the resolution improvement of digital COT current balance. In this paper, the current balance model of multiphase COT control is derived and can be applied in the Buck system with an arbitrary number of phases, the delay‐line‐based high‐resolution COT current balance scheme is proposed to enhance the control resolution. Finally, the two‐phase DICOT control is tested on the multiphase Buck system, the transient performance is tested of 100 A load step with the slew rate of 1000 A/μs, and the voltage undershoot and overshoot are 20 and 36 mV, respectively. The current balance is tested and the errors are 0.01% and 0.11% at the light and heavy loads, respectively.
Electrocatalytic Annulation–Iodosulfonylation of Indole‐Tethered 1,6‐Enynes to Access Pyrrolo[1,2‐a]indoles
Authors: Yuan Ya‐Yu , Chen Xi , Wang Ji‐Yun , Yan Sheng‐Hu , Wang Yu‐Ting , Zhang Yue , Liu Jian‐Wu , Zuo Hang‐Dong 
Published: January 2024

AbstractWe present the first example of electrocatalytic three‐component annulation–iodosulfonylation of indole‐tethered 1,6‐enynes with arylsulfonyl hydrazides and KI for accessing various iodosulfonated pyrrolo[1,2‐a]indoles in moderate to excellent yields with high stereospecificity. This electrosynthesis opens new avenues for the construction of pyrrolo[1,2‐a]indoles skeleton with good functional group compatibility under environmentally benign condition. Based on the control experiments and cyclic voltammetry data, we suggested the plausible reaction mechanism which included anodic oxidation, homolysis of arylsulfonyl iodide, arylsulfonyl radical addition, 5‐exo‐dig cyclization, radical coupling or nucleophilic attack of iodide ions cascade.
MXene nanofiller doped ion conducting polyethylene oxide for electrochemical devices
Authors: Khurshid Adnan , Bajaj Yashika , Savilov Serguei V. , Yadav Tarun , Kumar Rohit , Yahya Muhd Zu Azhan , Alheety Mustafa A , Singh Pramod K. 
Published: January 2024

AbstractNanofiller‐doped polymer electrolyte‐based electrochemical devices are now emerged as a novel material for electrochemical devices. This paper reports a solid polymer electrolyte film doped with a new nanofiller synthesized by the solution casting technique. Electrical, optical, and photoelectrochemical characterization are presented in detail. Electrochemical impedance spectroscopy (EIS) shows with the dispersion of nanofillers conductivity increases attains maxima and decreases. The maximum conductivity was at 0.04 wt% nanofiller concentration of 2.05 × 10−4 S/cm. The calculated ionic transference value was 0.92 which shows the dormancy of the system as ionic. The linear sweep voltammetry confirms a high electrochemical stability window (ESW) of 4.01V. Sandwitched electrical double‐layer capacitors (EDLC) have been developed using carbon‐based electrodes and sandwitched nanofiller dispersed polymer electrolyte, showing a high specific capacitance value of ~200 F/g.
A comparative study of thermo‐physical properties of different nanofluids for effective heat transfer leading to Li‐ion battery pack cooling
Authors: Thorat Prajwal , Sanap Sudarshan , Gawade Shashank 
Published: January 2024

AbstractThe rapid advancement in Lithium‐ion battery technology has significantly boosted the electric vehicle market worldwide. These batteries are highly sought after by automobile manufacturers and researchers due to their exceptional energy storage and power capabilities. However, efficient working temperatures ranges from 15°C to 35°C, making it essential to implement battery cooling and heating methods to maintain optimal performance. This study primarily focuses on battery cooling. The automotive manufactures have focused on ethylene glycol, water and synthetic oils as commonly used coolants for keeping the lithium‐ion battery pack within working temperature limits. However, these fluids have lower heat conduction, leading to reduced heat transfer rates and diminished cooling performance. To address this issue, nano‐enhanced fluids, which are engineered fluids containing suspended nanospheres, have been explored. The heat transfer properties of conventional coolants are increased using nano‐enhanced fluids, thereby improving heat conduction and promoting efficient heat transfer within the battery. The study compares the temperature‐related characteristic of different nano‐enhanced fluids, including oxides of copper (CuO), titanium (TiO2), aluminum (Al2O3), silicon (SiO2), and zinc (ZnO), when added to base fluids such as synthetic oils, water and ethylene glycol. The importance to capacity of specific heat, conductivity of fluid thermally, fluid resistance to flow and fluid volumetric mass which are affected by changes in temperature limits are stressed upon. Depending on the specific application and test conditions, the effectiveness of one nano‐enhanced fluid may outperform the others. In conclusion, the thermo physical properties of nanofluids play a critical role in maintaining the battery pack temperature within operating temperature limits. The selections of nanofluids for particular battery thermal management system depends upon its arrangement along the battery pack and cell geometry. The cooling performance using nanofluids as coolant is 10% to 15% higher than the conventional used fluids. This nano‐enhanced fluid show great promise in enhancing the cooling capabilities of battery cooling systems, contributing to improved Lithium‐ion battery performance in electric vehicles.
The impact of ketogenic diet on some metabolic and non‐metabolic diseases: Evidence from human and animal model experiments
Authors: Galali Yaseen , Zebari Salih M. S. , Aj. Jabbar Ahmed , Hashm Balaky Holem , Sadee Bashdar Abuzed , Hassanzadeh Hamed 
Published: January 2024

AbstractThe ketogenic diet (KD) is recognized as minimum carbohydrate and maximum fat intakes, which leads to ketosis stimulation, a state that is thought to metabolize fat more than carbohydrates for energy supply. KD has gained more interest in recent years and is for many purposes, including weight loss and managing serious diseases like type 2 diabetes. On the other hand, many believe that KD has safety issues and are uncertain about the health drawbacks. Thus, the outcomes of the effect of KD on metabolic and non‐metabolic disease remain disputable. The current narrative review aims to evaluate the effect of KD on several diseases concerning the human health. To our best knowledge, the first report aims to investigate the efficacy of KD on multiple human health issues including type 2 diabetes and weight loss, cardiovascular disease, kidney failure and hypertension, non‐alcoholic fatty liver, mental problem, oral health, libido, and osteoporosis. The literature searches were performed in Databases, PubMed, Scopus, and web of Science looking for both animal and human model designs. The results heterogeneity seems to be explained by differences in diet composition and duration. Also, the available findings may show that proper control of carbohydrates, a significant reduction in glycemic control and glycated hemoglobin, and weight loss by KD can be an approach to improve diabetes and obesity, hypertension, non‐alcoholic fatty liver, PCOS, libido, oral health, and mental problem if isocaloric is considered. However, for some other diseases like cardiovascular disease and osteoporosis, more robust data are needed. Therefore, there is robust data to support the notion that KD can be effective for some metabolic and non‐metabolic diseases but not for all of them. So they have to be followed cautiously and under the supervision of health professionals.
Safety assessment of a proprietary fermented soybean solution, Symbiota®, as an ingredient for use in foods and dietary supplements: Non‐clinical studies and a randomized trial
Authors: Hung Chien‐Min , Chu Wen‐Cheng , Huang Wen‐Yen , Lee Pei‐Jung , Kuo Wen‐Chih , Hou Cheng‐Yu , Yang Chia‐Chun , Yang Ai‐Jen , Wu Wei‐Kai , Kuo Ming‐Liang , Wu Ming‐Shiang , Chen Wan‐Jiun 
Published: January 2024

AbstractA safety evaluation was performed of Symbiota®, which is made by a proprietary anaerobic fermentation process of soybean with multistrains of probiotics and a yeast. The battery of genotoxicity studies showed that Symbiota® has no genotoxic effects. Safety and tolerability were further assessed by acute or repeated dose 28‐ and 90‐day rodent studies, and no alterations in clinical observations, ophthalmological examination, blood chemistry, urinalysis, or hematology were observed between the control group and the different dosing groups (1.5, 5, and 15 mL/kg/day). There were no adverse effects on specific tissues or organs in terms of weight and histopathology. Importantly, the Symbiota® treatment did not perturb hormones and other endocrine‐related endpoints. Of note, the No‐Observed‐Adverse‐Effect‐Level was determined to be 15 mL/kg/day in rats. Moreover, a randomized, double‐blind, placebo‐controlled clinical trial was recently conducted with healthy volunteers who consumed 8 mL/day of placebo or Symbiota® for 8 weeks. Only mild adverse events were reported in both groups, and the blood chemistry and blood cell profiles were also similar between the two groups. In summary, this study concluded that the oral consumption of Symbiota® at 8 mL/day by the general population does not pose any human health concerns.