bluuebunny/crossref_metadata_2025_split huggingface dataset:
Binaphthalene Boronic Acid Sensor for Saccharides and d‐Fructose Determination in Beverages
Authors: Penavic Andrej , Radujevic Aco , Pushina Mariia , Anzenbacher Pavel 
Published: February 2022

AbstractThe presence of electron rich compounds such as amines added to the fluorescent methoxybinaphthalene boronic acid results in a dramatic increase in affinity of diols to the aryl boronic acid as well as in the augmented fluorescence response. This is likely the result of the change in boron geometry upon coordination with electron donor which facilitate the diols binding. Here, we demonstrate the role of amino alcohol additive in binding of saccharides by boronic acid‐based fluorescent sensor. We show that this strategy allows a poorly responsive sensor to become a highly sensitive probe for the detection of sugars, which could be used for classification of saccharides as well as for quantitative analysis in DMSO‐water solutions. The simple binaphthalene boronic acid sensor was particularly sensitive to d‐fructose (Ka=2.08×106), which allowed for identification of commercial sweetened beverages based on their d‐fructose content. The same method was successfully used for the quantitative analysis of d‐fructose in soft beverages.
Co (II), Ni (II), and Cu (II) complexes of 4,6‐bis(2‐hydroxynaphthalen‐1‐yl)methyl‐ene)hydrazono)ethyl)benzene‐1,3‐diol: Synthesis, spectroscopic, biological, and theoretical studies
Authors: Samy Fatma , Shebl Magdy 
Published: February 2022

AbstractA new hydrazone ligand 4,6‐bis(2‐hydroxynaphthalen‐1‐yl)methyl‐ene)hydrazono)ethyl)benzene‐1,3‐diol (H4L; DHNAPH) was synthesized by the reaction of 4,6‐bis(1‐hydrazonoethyl)benzene‐1,3‐diol (NH2DAR) with 2‐hydroxy 1‐naphthaldehyde. Co (II), Ni (II), and Cu (II) complexes ([M2L(H2O)6].nH2O.mEtOH (M = Co, Ni or Cu;n= 0.5 or 1; andm= 0.5 or 0) of DHNAPH have been successfully synthesized. Characterization of DHNAPH and its complexes was performed by analytical, spectral (infrared [IR], mass, UV–Vis,1H NMR, and electron spin resonance [ESR]), powder X‐ray diffraction (XRD), magnetic susceptibility, molar conductivity, and thermal gravimetric analysis (TGA) techniques. The analytical data, magnetic moments, and spectral studies recognized octahedral geometries for DHNAPH complexes. DHNAPH acts as a bis (dibasic tridentate) via (C=Nazomethineand 2 OH) with metal in complexes. The XRD patterns for DHNAPH and its complexes indicate crystalline nature of DHNAPH and its Cu complex. DHNAPH has triclinic system, while copper‐DHNAPH has a tetragonal system with different unit cell parameters. Theoretical studies showed that there is a good relation between experimental IR data and theoretical calculation. The activity of DHNAPH and its complexes against Hepatocellular carcinoma, fungi, and bacteria has been tested. The new complexes are more active than DHNAPH, and the highest antitumor activity was given by copper (II) complex, which showed lower IC50than that of Cisplatin. The DNA binding of DHNAPH and Cu‐DHNAPH has been investigated. Molecular docking studies showed that all the tested compounds show good binding scores revealing good fitting in between the DNA strands. There is an agreement between docking data and DNA binding results.
Synthesis, characterization, molecular docking, DNA cleavage properties, and antimicrobial activity studies of mixed ligand complexes
Authors: El‐Sonbati Adel Z. , Diab Mostafa A. , El‐Sayed Ahmed K. , Abou‐Dobara Mohamed I. , Gafer Aya A. F. 
Published: February 2022

AbstractCu (II), Ni (II), Co (II), and Mn (II) acetato in addition to Cu (II) chloro and nitrato mixed ligand complexes of 4‐([quinolin‐2‐yl]methyleneamino)‐1,2‐dihydro‐2,3‐dimethyl‐1‐phenylpyrazol‐5‐one (L), as a primary ligand and 2,4‐dihydroxy benzaldehyde (H2L), as a secondary ligand have been isolated. The structural features and geometrical arrangements of the synthesized mixed ligand complexes were identified by elemental analysis, Fourier transform infrared spectroscopy (FT‐IR), conductivity measurements, UV‐Vis spectra, magnetic moment measurements, X‐ray diffraction, and electron spin resonance (ESR) spectral and thermogravimetric techniques studies of the mixed ligand complexes confirming the molar ratio 1:1:1 (primary ligand: M: secondary ligand) for Cu (II), Co (II), Mn (II), and UO2(II) chelates. The spectral techniques also confirmed the metal chelates have the formulae (Cu[H2L][L][X]2), where X = Cl−(1); NO3−(2); and (M[L][HL][OAc])YH2O, where M = Cu (II) (3), Co (II) (4); Y = 1, Mn (II) (5); Y = 1 and UO2(II) (6); Y = 2. The kinetic and thermodynamics parameters of the mixed ligand complexes at different decomposition steps were calculated using Coast‐Redfern and Horowiz‐Metzger methods. Also, the antimicrobial activities of ligands and their mixed ligand complexes were screened by Disc Diffusion method. It was found that all mixed ligand complexes (1–6) have high antibacterial activity againstKlebsiella pneumoniaethan penicillin G. By studying the molecular docking between the quinoline‐2‐carbaldehyde, the ligand and the receptors (Escherichia coli(PDB code: 3t88),Staphylococcus aureus(PDB code: 3q8u), lung cancer (PDB code: 1x2j), and colon cancer (PDB code: 2hq6)), it was found that the ligand is efficient compound for all the receptors than the quinoline‐2‐carbaldehyde. The DNA cleavage properties of the two ligands and their complexes have been investigated by gel electrophoresis and the results showed that complex (1) without H2O2and complex (6) with H2O2exhibited a significant partial oxidative cleavage among other complexes.
Study on the performance of a novel hydrodynamic cavitation device for treatment of wastewater
Authors: Fu Shuangcheng , Lu Jian , Zhou Faqi , Yuan Huixin , Wang Yunbing , Dai Chaolei 
Published: February 2022

AbstractA novel rotational hydrodynamic cavitation device (called WLAC, composed of rotor and stator) was designed for treatment of wastewater, as well as two other structures with different lead angle based on WLAC, namely, LLAC and HLAC. The velocity characteristics, cavitation number, cavitation bubbles distribution, and production capacity of the hydrodynamic cavitation device were analyzed. Experimental results showed that the concentration of ·OH increased with treatment capacity as the water was decomposed into ·OH and ·H due to cavitation, which indicated the feasibility of the designed cavitation. The high velocity was mainly distributed around movable teeth and decreased to both sides in WLAC but was distributed between the groove of fixed teeth in LLAC and HLAC, as well as the cavitation region. Meanwhile, the cavitation intensities of HLAC and LLAC were significantly higher than WLAC; especially, the cavitation bubbles generated by HLAC were 54% higher than those generated by WLAC. In addition, the production capacity of hydrodynamic cavitation device decreased with the increase of Re. Due to the stronger capability of cavitation cloud generation and suppression of short circuit flow, the HLAC had higher production capacity of cavitation. The results presented here may provide a workable reference regarding the cavitation generation mode on higher cavitation performance and production capacity for wastewater treatment.
Characterization of the incorporation of a granular medium into elastomer matrices during mixing process
Authors: Tembhurnikar Nikhil , Majesté Jean‐Charles , Martin Sylvain , Bonnefoy Olivier 
Published: February 2022

AbstractMixing of filler particles with elastomers is one of the most important steps in tire manufacturing process. Precipitated Silica (Si), as a filler, shows enhanced properties compared with carbon black when incorporated with an elastomer such as low rolling resistance, high wet grip performance, and high wear resistance. According to the standard rubber mixing process, the fragmentation of the filler particles in an elastomer during mixing must yield to breakage of particles to a size that enables homogenous mixing of the material. Hence, this experimental study is concerned with understanding the behavior of silica during its incorporation in the elastomer. Incorporation is done through shear forces present in the Internal Mixer. Different experimental methodologies are used to measure the particle size distribution. For free silica particles that have been fragmented but not incorporated, we use Laser granulometry. Silica embedded in elastomer is analyzed using X‐ray tomography. The results obtained suggest that free silica and silica embedded in elastomer follow erosion mechanism.
Dual function composite fibers of cellulose with activated carbon aerogel and carbide derived carbon
Authors: Kiefer Rudolf , Elhi Fred , Puust Laurits , Peikolainen Anna‐Liisa , Tamm Tarmo 
Published: February 2022

AbstractPolymers of natural origin, especially cellulose, have risen to the focus of smart materials, and also energy storage materials' research as sustainable matrix alternatives. In this work, novel composites of cellulose with activated carbon aerogel (ACA) and carbide‐derived carbon (CDC) are demonstrated. The composites were formulated as fibers from regenerated cellulose (Cell). The electromechanical response as linear actuation in stress and strain of the fibers was studied in an organic electrolyte at low applied potentials in range of 0.55 to −0.8 V. Cyclic voltammetry and square wave potential steps were performed revealing for both composite fibers expansion at positive charging. The Cell‐ACA fibers showed a stronger response compared with Cell‐CDC, largely due to the particle structure, reflected in higher electronic conductivity. The chronopotentiometric measurements showed that Cell‐ACA also had the higher specific capacitance of the two of 47.5 F g−1. The dual‐function of Cell‐ACA and Cell‐CDC of electromechanical activity and energy storage capability can have potential in smart clothing applications.
Sick of attention: The effect of a stress‐related disease on juvenile green sea turtle behaviour in the face of intense and prolonged tourism
Authors: Zerr Kaitlyn M. , Imlay Tara L. , Horn Andrew G. , Slater Kathy Y. 
Published: February 2022

Abstract

Anthropogenic activities are increasingly linked to emerging diseases that cause mortality across many taxa. Human interference arising from ecotourism, in particular, can increase the stress levels of wild populations and promote the spread of disease. In Akumal Bay, Mexico, green sea turtles (Chelonia mydas) are increasingly infected with fibropapillomatosis (FP), an infectious disease associated with stress‐induced immunosuppression linked to high human density, which is particularly high in this area because of the increasing number of tourists visiting all year round.
To examine whether FP might be associated with behavioural indicators of stress and varying levels of tourist pressure, the behaviour of turtles and the number of tourists were observed through 20‐minute focal sampling periods from May to August 2017. Disease presence and tourist pressure were related to several aspects of turtle behaviour, specifically feeding, resting, vertical movements (i.e. surfacing and diving), and evasive responses.
Turtles that had visible FP engaged in fewer feeding periods, vertical movements, and evasive responses. Additionally, with increasing tourist pressure, all turtles spent less time engaging in vertical movements and had more evasive responses. These results suggest that the presence of FP affects green sea turtle behaviour, potentially increasing their exposure to tourists.
Sick and healthy turtles appear to react differently to tourists, suggesting that FP changes behavioural responses to tourist pressure. Future management strategies should consider regulating tourist pressure on sick animals to reduce the incidence and progression of FP and other wildlife diseases by limiting access to critical habitats and enforcing code‐of‐conduct compliance from visiting tourists.
Enzyme‐Instructed Self‐Assembly of Peptides: From Concept to Representative Applications
Authors: Kim Beom Jin 
Published: February 2022

AbstractEnzyme‐instructed self‐assembly, integrating enzymatic reaction and molecular self‐assembly, has drawn noticeable attention over the last decade with the intension of being used in valuable applications. Recent advances in the field make it possible to spatiotemporally control peptide self‐assembly in cellular milieu, broadening the potential applications of peptide assemblies to cancer therapy and subcellular delivery. In this review, the concept of enzyme‐instructed self‐assembly of peptide, containing enzymatic trigger and spatiotemporal control, is described. Representative applications in cells are also discussed, followed by an outlook on the field of enzyme‐instructed self‐assembly.
A Combined Lithium Intercalation and Plating Mechanism Using Conductive Carbon‐Fiber Electrodes
Authors: Zijian Zhao Tommy , Dose Wesley M. , De Volder Michael F. L. 
Published: February 2022

AbstractLithium‐metal anodes (LMAs) are desirable for next‐generation rechargeable batteries because of their high energy density. However, in practical applications they are hindered by inhomogeneous and uncontrolled lithium‐dendrite deposition during cycling. Herein, we propose a dual charge storage mechanism, using freestanding carbon‐fiber paper (CFP) with carbon fillers electrode. These CFP electrodes are manufactured at an industrial scale and act both as a host for lithium (Li) intercalation and as a conductive and porous 3D scaffold for Li plating/stripping. The CFP electrode exhibits excellent long‐term cycling stability, as evidenced by Coulombic efficiencies of over 99.5 % on the 250th cycle in CFP|Li half‐cells with a lithiation capacity of 1.5 mA h cm−2 and current density of 0.5 mA cm−2. We also demonstrate that the CFPs are sufficiently electrically conductive to operate in small pouch cells without metal foil current collectors, further improving the energy density of the proposed electrodes.
Bayes and Darwin: How replicator populations implement Bayesian computations
Authors: Czégel Dániel , Giaffar Hamza , Tenenbaum Joshua B. , Szathmáry Eörs 
Published: February 2022

AbstractBayesian learning theory and evolutionary theory both formalize adaptive competition dynamics in possibly high‐dimensional, varying, and noisy environments. What do they have in common and how do they differ? In this paper, we discuss structural and dynamical analogies and their limits, both at a computational and an algorithmic‐mechanical level. We point out mathematical equivalences between their basic dynamical equations, generalizing the isomorphism between Bayesian update and replicator dynamics. We discuss how these mechanisms provide analogous answers to the challenge of adapting to stochastically changing environments at multiple timescales. We elucidate an algorithmic equivalence between a sampling approximation, particle filters, and the Wright‐Fisher model of population genetics. These equivalences suggest that the frequency distribution of types in replicator populations optimally encodes regularities of a stochastic environment to predict future environments, without invoking the known mechanisms of multilevel selection and evolvability. A unified view of the theories of learning and evolution comes in sight.
Energy/entropy partition of force at DNA stretching
Authors: Bleha Tomas , Cifra Peter 
Published: February 2022

AbstractWe compute by molecular simulation the energy/entropic partition of the force in a stretched double‐stranded (ds)DNA molecule that is not yet available from the single‐molecule measurements. Simulation using the coarse‐grained wormlike chain (WLC) model predicts a gradual decrease in the internal (bending) energy of DNA at stretching. The ensuing negative energy contribution to force fU is outweighed by the positive entropy contribution fS. The ratio fU/f, used to assess the polymer elasticity, is about −1 at the moderate extension of DNA. At the high extension, the extra energy expenses due to the contour length elongation make the ratio fU/f less negative. The simulation findings of the hybrid energy/entropy nature of DNA elasticity at weak and moderate forces are supported by computations using the thermoelastic method mimicking the polymer experiments in bulk. It is contended that the observation of the negative energy elasticity in DNA can be generalized to other semiflexible polymers described by the WLC model.
Thermal quantitative sensory testing as a screening tool for cardiac autonomic neuropathy in patients with diabetes mellitus
Authors: Potockova Veronika , Mala Sarka , Hoskovcova Lucie , Capek Vaclav , Nedelka Tomas , Riedlbauchova Lucie , Baumgartner Daniel , Mensova Livie , Mazanec Radim 
Published: February 2022

AbstractIntroductionElectrophysiological diagnosis of cardiac autonomic neuropathy (CAN) is based on the evaluation of cardiovascular autonomic reflex tests (CARTs). CARTs are relatively time consuming and must be performed under standardized conditions. This study aimed to determine whether thermal quantitative sensory testing (TQST) can be used as a screening tool to identify patients with diabetes at a higher risk of CAN.MethodsEighty‐five patients with diabetes and 49 healthy controls were included in the study. Neurological examination, CARTs, TQST, biochemical analyses, and neuropathy symptom questionnaires were performed.ResultsCAN was diagnosed in 46 patients with diabetes (54%). CAN‐positive patients with diabetes had significantly higher warm detection thresholds (WDT) and significantly lower cold detection thresholds (CDT) in all tested regions (thenar, tibia, and the dorsum of the foot). CDT on the dorsum < 21.8°C in combination with CDT on the tibia < 23.15°C showed the best diagnostic ability in CAN prediction, with 97.4 % specificity, 60.9% sensitivity, 96.6% positive predictive value, and 67.3% negative predictive value.ConclusionTQST can be used as a screening tool for CAN before CART.
Toward wide‐temperature electrolyte for lithium–ion batteries
Authors: Chen Long , Wu Honglun , Ai Xinping , Cao Yuliang , Chen Zhongxue 
Published: February 2022

AbstractLithium–ion battery (LIB) suffers from safety risks and narrow operational temperature range in despite the rapid drop in cost over the past decade. Subjected to the limited materials choices, it is not feasible to modify the cathode and anode to improve the battery's wide‐temperature performance, hence, optimizing the design of the electrolyte system has currently become the most feasible and economical way to broaden the operating temperature range of LIBs. Considering urgent demands for wide‐temperature LIBs and achieved enormously excited results about wide‐temperature electrolytes in recent years, a review about this topic and scope is timely and important at present. In this study, we first examine the physicochemical properties of current commercial electrolytes with emphasis on the variations of key parameters along with the temperature. After that, we give comprehensive overview of the employed strategies for separately improving the electrochemical performance of electrolytes toward low‐temperature, high‐temperature, and wide‐temperature applications. Furthermore, recent progress of ionic liquids and solid‐state electrolytes that are capable of working within wide temperature range is also summarized. We hope this review will provide deep understanding of the design principles of wide‐temperature electrolyte, and inspire more endeavors to conquer the practicability issue of LIBs in extreme environments.
XELOX doublet regimen versus EOX triplet regimen as first‐line treatment for advanced gastric cancer: An open‐labeled, multicenter, randomized, prospective phase III trial (EXELOX)
Authors: Zhu Xiao‐Dong , Huang Ming‐Zhu , Wang Yu‐Sheng , Feng Wan‐Jing , Chen Zhi‐Yu , He Yi‐Fu , Zhang Xiao‐Wei , Liu Xin , Wang Chen‐Chen , Zhang Wen , Ying Jie‐Er , Wu Jun , Yang Lei , Qin Yan‐Ru , Luo Jian‐Feng , Zhao Xiao‐Ying , Li Wen‐Hua , Zhang Zhe , Qiu Li‐Xin , Geng Qi‐Rong , Zou Jian‐Ling , Zhang Jie‐Yun , Zheng Hong , Song Xue‐Feng , Wu Shu‐Sheng , Zhang Cheng‐Yan , Gong Zhe , Liu Qin‐Qin , Wang Xiao‐Feng , Xu Qi , Wang Qi , Ji Jian‐Mei , Zhao Jian , Guo Wei‐Jian 
Published: February 2022

AbstractBackgroundThere is no consensus on whether triplet regimen is better than doublet regimen in the first‐line treatment of advanced gastric cancer (AGC). We aimed to compare the efficacy and safety of oxaliplatin plus capecitabine (XELOX) and epirubicin, oxaliplatin, plus capecitabine (EOX) regimens in treating AGC.MethodsThis phase III trial enrolled previously untreated patients with AGC who were randomly assigned to receive the XELOX or EOX regimen. The primary endpoint was non‐inferiority in progression‐free survival (PFS) for XELOX as compared with EOX on an intention‐to‐treat basis.ResultsBetween April 10, 2015 and August 20, 2020, 448 AGC patients were randomized to receive XELOX (n = 222) or EOX (n = 226). The median PFS (mPFS) was 5.0 months (95% confidence interval [CI] = 4.5‐6.0 months) in the XELOX arm and 5.5 months (95% CI = 5.0‐6.0 months) in the EOX arm (hazard ratio [HR] = 0.989, 95% CI = 0.812‐1.203; Pnon‐inferiority = 0.003). There was no significant difference in median overall survival (mOS) (12.0 vs. 12.0 months, P = 0.384) or objective response rate (37.4% vs. 45.1%, P = 0.291) between the two groups. In patients with poorly differentiated adenocarcinoma and liver metastasis, the EOX arm had a significantly longer mOS (P = 0.021) and a trend of longer mPFS (P = 0.073) than the XELOX arm. The rate of grade 3/4 adverse events (AEs) was 42.2% (90/213) in the XELOX arm and 72.5% (156/215) in the EOX arm (P = 0.001). The global health‐related quality of life (QoL) score was significantly higher in the XELOX arm than in the EOX arm during chemotherapy.ConclusionsThis non‐inferiority trial demonstrated that the doublet regimen was as effective as the triplet regimen and had a better safety profile and QoL as a first‐line treatment for AGC patients. However, the triplet regimen might have a survival advantage in patients with poorly differentiated adenocarcinoma and liver metastasis.
Synthesis, Antifungal Activity and 3D‐QSAR Study of Novel Anisaldehyde‐Derived Amide‐Thiourea Compounds
Authors: Li Rong , Cen Bo , Duan Wengui , Lin Guishan 
Published: February 2022

AbstractSuccinate dehydrogenase (SDH) is an important target enzyme for designing agricultural chemical fungicides. In order to explore novel natural product‐based antifungal agents, twenty‐one unreported anisaldehyde‐derived amide‐thiourea compounds were designed and synthesized using the principle of active splicing, and structurally confirmed by 1H‐NMR, 13C‐NMR, ESI‐MS, FT‐IR, and element analysis. In vitro antifungal activity of the target compounds was evaluated by the agar dilution method. The results showed that some target compounds exhibited better or comparable antifungal activity than that of the commercial fungicide chlorothalonil, in which compounds 5c, 5o, and 5r displayed excellent antifungal activity of 92.6 %, 92.6 % and 99.1 % against P. piricola, respectively, better than that of the positive control. In addition, 3D‐QSAR analysis was carried out by the CoMFA method to reveal the relationship between the structures of the target compounds and their inhibitory activities. The simulative binding mode of the target compounds and SDH was also studied by molecular docking.
Rhino‐orbito‐cerebral mucormycosis in a post‐COVID‐19 diabetic patient: Rare case from Iran
Authors: Fakhar Mahdi , Sharifpour Ali , Zakariaei Zakaria , Banimostafavi Elham Sadat , Soleymani Mostafa , Davoodi Lotfollah 
Published: February 2022

AbstractRhino‐orbito‐cerebral mucormycosis (ROCM) is a progressive and life‐threatening disease that is caused by a fungal infection. Every uncontrolled diabetic patient with a skin lesion on their head and neck, sinusitis symptoms, headache, and orbital edema should be evaluated for mucormycosis.