bluuebunny/crossref_metadata_2025_split huggingface dataset:
Interaction Between 2‐Methylimidazole and 1‐Butanol/1‐Octanol: Thermophysical and Computational Studies
Authors: Pradhan Sanghamitra , Behera Santosh Kumar , Samal Sangram Keshari , Panda Itishree , Sahu Pratyush Kumar , Priyadarshini Swayamprabha 
Published: April 2023

AbstractThe study reports the density (ρ), molar volume (V), partial molar volume (Vm1)/(Vm2) and refractive index (nD) of the binary mixture of 2‐methylimidazole and 1‐butanol/octanol at T=300.15–318.15 K. The accuracy of the experimental results was checked with different refractive mixing models like Lorentz‐Lorentz (L−L), Arago‐Biot (A−B), Gladstone‐Dale (G−D), Newton (N), Heller (H) and Wiener (W) and the root mean square deviation have also been presented.. The excess values were fitted to Redlich‐Kister polynomial equation and the standard deviations were also calculated. The negative VE and ΔnD values at higher mole fraction of 2‐methylimidazole indicate specific interaction between the unlike components due to hydrogen bonding but with rise in temperature the bonds tend to dissociate leading to restricted associations. Density functional theory has also been used to investigate the effective reactivity between 2‐methylimidazole and 1‐butanol/1‐octanol. The difference between ELUMO and EHOMO ranged from −12.9 to 16.523 kcal/mol. 2‐methylimidazole‐1‐octanol displayed greatest reactivity with lowest band energy gap.
Chiral Carboxylic Acids as Organic Catalysts for Asymmetric Reactions
Authors: Sun Cuiyun , Li Tingting 
Published: April 2023

AbstractCarboxyl groups are frequently found in both natural products with proven bioactivities and small functional molecules with significant synthetic applications. Carboxylic acids are therefore one class of the most critical and easily accessible catalysts in organic synthesis. Herein, a brief overview of chiral carboxylic acid‐catalyzed asymmetric reactions is provided. Typical reactions and mechanisms are systematically discussed. We also provide our own perspectives on the future development within this research field based on our comprehensive understanding of the carboxylic acid‐promoted organocatalytic reactions.
Tetraphenylethene Carbothioamide‐Based Organic Stimuli‐Responsive Mechanochromic Memristive Devices with Non‐Volatile Memory and Synaptic Learning Functionalities
Authors: Jagadhane Kishor S. , Dongale Tukaram D. , Nikam Ankita S. , Tadavalekar Neha B. , Kamat Rajanish K. , Kolekar Govind B. , Anbhule Prashant V. 
Published: April 2023

AbstractA tetraphenylethene‐based organic material (TC) was synthesized to demonstrate mechanochromic memristive properties. The synthesized material shows aggregation‐induced emission and mechanochromic properties. The solvent optimization study reveals that the ethyl acetate‐based TC switching layer shows good resistive switching (RS) properties. To get the mechanochromic memristive properties, different external stresses (ground, heat, and fume) were applied to the TC materials, and these materials were used for the fabrication of switching layers. The results asserted that ethyl acetate and grinding‐based TC devices show good digital‐type RS effects and non‐volatile memory properties. On the other hand, heating and fuming‐based TC devices show analog and quasi‐digital type RS effects, respectively, and mimic various biological synaptic properties such as potentiation‐depression, excitatory postsynaptic current, and paired‐pulse facilitation index. The present investigation is important to fabricate stimuli‐responsive memory and artificial synaptic devices for futuristic non‐volatile memory and neuromorphic computing applications.
Role of Cerium Doping in Petal‐Like NiO Grown Directly over Ni Foam for Enhancing the Super‐Capacitive Behaviour
Authors: Patel Roma , Vinchhi Prerna , Mukhopadhyay Indrajit 
Published: April 2023

AbstractWe have synthesized petal‐like structure of cerium doped nickel oxide over the nickel foam using a hydrothermal method at 120 °C. The variation of the doping concentration of cerium from 1–7 mol% was studied to improve the capacitive behaviour. X‐ray diffraction spectroscopy indicates the presence of the NiO phase without any impurities. Field emission scanning electron microscopy shows formation of 3D network by the interconnection of 2D petals morphology. Further, X‐Ray data has been supported by the Raman scattering measurements. X‐ray photoelectron spectroscopy data confirmed the presence of NiO along with traces of Ce3+ which categorically indicate successful doping of Ce3+ in NiO matrix. The electrochemical analysis shows the pseudo‐capacitive behaviour with a specific capacitance of 794.58 F/g at 5 mV/s scan rate. It also shows the cyclic stability of 89.23 % after 800 cycles at a scan rate of 10 mV/s. Electrochemical impedance spectroscopy was carried out to investigate the involved charge transfer kinetics. The 5 mol% doping of cerium into the NiO crystal shows low resistance which provides a shortened path for the charge transfer. It helps to improve the electrochemical behaviour. Thus, the results have shown that cerium doping in NiO can improve the electrochemical performance of the system.
Development and Validation of Spectrophotometric Methods for the Quantitative Determination of Doxycycline Hyclate in Pure Form and Pharmaceutical Formulations Using Flow‐Injection and Batch procedures: A Comparative Study
Authors: Abdulghani Ruqaya H. , Hassan Raed F. 
Published: April 2023

AbstractDoxycycline hyclate is an antibiotic drug with a broad‐spectrum activity against a variety of gram‐positive and gram‐negative bacteria and is frequently used as a pharmacological agent and as an effector molecule in an inducible gene expression system. A sensitive, reliable and fast spectrophotometric method for the determination of doxycycline hyclate in pure and pharmaceutical formulations has been developed using flow injection analysis (FIA) and batch procedures. The proposed method is based on the reaction between the chromogenic reagent (V4+) and doxycycline hyclate in a neutral medium, resulting in the formation of a yellow compound that shows maximum absorbance at 396 nm. In a batch procedure, the proposed method was validated over the concentration range of 1.0–80 μg mL−1with a sampling frequency of 30/h, and commercial pharmaceutical samples were successfully determined. The proposed method was successfully adapted with an FIA system where the peak heights are proportionally connected to doxycycline hyclate over the concentration range of 25–400 μg mL−1with a sampling frequency of 50/h. The limits of detection (LOD) and quantification (LOQ) were 0.9 and 10.44 μg mL−1and 3.01 and 34.81 μg mL−1for batch and FIA respectively. The samples were submitted to an HPLC analysis, and the outcomes demonstrated excellent agreement with the suggested procedures. The adopted FIA procedure allows fast monitoring of doxycycline hyclate in pharmaceutical formulations and it can be used for quality control purposes during the production processes of doxycycline hyclate.
Interactions with HSA, anticancer and antiallergic activity of binuclear μ‐oxo bridged ruthenium acetate compounds
Authors: Cacita Natacha , Batista Silva Amanda , Portela dos Santos Nicolle Azevedo , Barbosa Ramos Loyanne Carla , Freire de Moraes Del Lama Maria Perpétua , Zumstein Georgetto Naal Rose Mary , Nikolaou Sofia 
Published: April 2023

AbstractThe μ‐oxo bridged ruthenium acetate 1 [Ru2O(CH3COO)2(5‐CH3‐1,10‐phen)2(py)2](PF6)2 (5‐CH3‐1,10‐phen=5‐methyl‐1,10‐phenanthroline; py=pyridine) is presented. Its electronic and infrared spectra, as well as its cyclic voltammograms are all consistent with the proposed structure. Regarding biological properties, we collected data for 1 and its analog [Ru2O(CH3COO)2(1,10‐phen)2(py)2](PF6)2 (2) to infer the role of phenantroline methylation. The HSA fluorescence is quenched by 1 and the presence of variable concentrations of it did not affect the τ1/2 values for the HSA excited state lifetime (mean τ1/2 values=3.56, 3.46, and 3.32 ns at 298, 304, and 310 K respectively). Circular dichroism showed that the HSA α‐helix content decreased only 5 % upon interaction with 1, which formed a ground‐state adduct with HSA, not changing the protein structure to a significant extent. Interaction between 1 and DNA was weak; Benesi‐Hildebrand constants were in the order of 102 M−1. We probed the allergenic potential/antiallergic activity of 1, observing that 200 μM inhibited mast cell degranulation by about 80 %, while cell viability remained unaltered throughout the measurement (2 h). Therefore, 1 has antiallergic potential and is not an allergen. Regarding its anticancer activity, at all the employed concentrations, 1 was more cytotoxic than 2 against B16F10 murine melanoma cancer cells. At 25 μM, 1 reduced cell viability to less than 14 %, while 2 reduced cell viability to only 78 %.
An Evaluation of Biomarkers as Determinants of Peripheral Arterial Disease in those with Diabetes Mellitus
Authors: Ahmad Shabbir , Zaib Sumera 
Published: April 2023

AbstractPeripheral arterial disease (PAD) is characterized by reduced arterial perfusion in lower limb extremities due to atherosclerosis. The disease is mostly asymptomatic with poor diagnosis and prognosis, usually co‐existing with other diseases. Its burden is rising globally, especially among diabetics; consequently increasing the risk of vascular damage, lower limb amputation, and cardiovascular disorders. Therefore, it is essential to identify biomarkers for in‐time diagnosis and efficient prognosis of diabetes‐associated PAD. In this study, several markers were evaluated that can identify PAD development in diabetics. These biomarkers include blood urea nitrogen (BUN), serum creatinine, creatine kinase‐MB (CK‐MB), prothrombin time (PT), activated partial thrombopalstin time (aPTT), alanine aminotransferase (ALT), aspartate aminotransferase (AST), glycated hemoglobin (HbA1c), total cholesterol, triglycerides, low‐density lipoproteins (LDL), high density lipoproteins (HDL) and C reactive protein (CRP). All these markers were analyzed in blood samples using standard methods and results were interpreted by comparing them with widely accepted cut‐off values. After all experimental procedures, it was found that levels of AST (35.04 U/L), ALT (37.21 U/L), BUN (37.93 mg/dL), CK‐MB (22.01 IU/L), HbA1c (8.79 %), triglycerides (297.65 mg/dL), total cholesterol (234.59 mg/dL) and CRP (5.48 mg/L) were significantly higher in diabetic patients having PAD while slight increase was observed in coagulation profile (PT (14.27 s), aPTT (35.15 s) and INR (1.15), in diabetics plus PAD as compared to diabetics alone. However, it has been observed that levels of HDL were reduced in both diabetics (41.14 mg/dL) and diabetics plus PAD (43.54) as compared to control (healthy individuals) results (53.67) while LDL levels were increased in diabetics (117.42 mg/dL) and diabetics plus PAD (122.22) as compared to healthy individuals (102.76). Therefore, it was concluded that AST, ALT, urea, cholesterol, triglycerides, HDL, LDL, CK‐MB and CRP can serve as diagnostic and prognostic biomarkers in diabetics having PAD to improve life of patients.
Recent Advances in Solid Residues Resource Utilization in Traditional Chinese Medicine
Authors: Long Xu , Lu Ying‐Lei , Guo Hui , Tang Yu‐Ping 
Published: April 2023

AbstractChinese medicine is widely employed in illness prevention and treatment. In recent years, the increased demand for Chinese medicine resources has resulted in a large quantity of waste created during industrialization. However, traditional methods for treating herbal residues, including burning, stacking, and burying, can cause significant environmental damage and resource waste. Furthermore, these application approaches have a low level of resource utilization and a low degree of utilization. Therefore, developing a classification management system is a necessary precondition for reusing Chinese herb residues for medicinal, feed, fertilizer, and energy resource reuse. This paper reviews the potential applications of Chinese herb residues in the extraction of active resources, composting, feed addition, bioethanol preparation, and pyrolysis to biochar, bio‐oil, and fuel gas. Overall, this work provides a foundation for further investigation into the high‐value usage model and resource reuse pathway of Chinese herb residues.
Michael Addition Reaction of Benzothiazol‐2‐thiol/Benoxazol‐2‐thiol with α, β‐Unsaturated Esters: Chemoselective Construction of C−S and C−N Bonds
Authors: Gong Zhi‐Ying , Yang Cheng‐Li , Lin Wan‐Li , Wang Dan , Ma Jie , Dong Zhi‐Bing 
Published: April 2023

AbstractAn efficient and convenient method for the chemoselective construction of C−S and C−N bonds via simple Michael addition was reported. Thus, by using benzothiazol‐2‐thiol/benoxazol‐2‐thiol and α, β‐unsaturated ester as starting substrates, C−S and C−N bonds could be chemoselectively constructed by addition reaction in different solvents. This protocol featured high chemoselectivity, high atomic economy, mild conditions, good functional tolerance and good to excellent yields, showing potential value for the preparation of some biologically and pharmaceutically active compounds.
A Novel Phosphonates Synthesized from Schiff's Base Indenoquinoxaline Derivatives and its Biological Activity
Authors: Abd Elghany El‐Samahy Fatma , Ahmed Ezet Eldeken G. , Mostafa Zayed Ehab , Hassan Osman Fayez , Elgemeie Galal 
Published: April 2023

AbstractIn this study we made of reaction of 11H‐indeno[1,2‐b]quinoxalin‐11‐one with hydrazine hydrate and phenyl hydrazine to afford the corresponding hydrazineylidenes 3 a, b in good yield.A series of a novel Schiff's bases of isatin and aldehydes were synthesized by condensation of them with 11‐hydrazineylidene‐11H‐indeno[1,2‐b]quinoxaline. A number of aminophosphonates were synthesized by reaction of imines with dialkyl phosphites according to Pudovik reaction. The chemical structures of the synthesized compounds were confirmed by means spectroscopic evidences. The cytotoxic activity of ten derivatives were investigated in the liver cancer cell line HepG‐2 and the breast cancer cell line MCF‐7.Compounds 7 a, b showed higher cytotoxicity towards the liver cancer cell line HepG‐2 and compound 10 a gave higher cytotoxicity towards the breast cancer cell line (MCF7) most than the reference drug (Doxorubicin). From the above‐mentioned results it may be concluded that compounds containing bis‐aminophosphonate exhibit better activity than the aminophosphonate. The molecular docking studies of phosphonates and bisphosphonates were investigated.
Oxidative Assemblies of Flavonoids Dimers – Synthesis of Dehydrodicatechin A
Authors: Pradayrol Élodie , Maciuk Alexandre , Evanno Laurent 
Published: April 2023

AbstractCatechin and quercetin were subjected to different oxidative conditions. Reagents such as silver oxide, potassium ferricyanide or PIDA (phenyliodine diacetate), as well as electrochemical and photocatalytic conditions were evaluated. From quercetin, the formation of a dimer resulting from an oxa‐Diels‐Alder has been systematically observed. From catechin, dehydrodicatechin A was obtained by the action of silver oxide in a toluene/acetone mixture. Complementary experiments in the presence of catechol gave information on the mechanisms of formation. Products resulting from these reactions have already been identified in plants and beverages made from plants and are supposed to result from the oxidation of flavonoids. This reactivity exploration provides a better understanding of the role of catechols in the formation of natural compounds arising from the dimerization of flavonoids during oxidative process. These results shed some light on the intrinsic reactivity of catechin and quercetin.
Biocompatible Material‐Based Flexible Biosensors: From Materials Design to Wearable/Implantable Devices and Integrated Sensing Systems
Authors: Liu Gang , Lv Ziyu , Batool Saima , Li Ming‐Zheng , Zhao Pengfei , Guo Liangchao , Wang Yan , Zhou Ye , Han Su‐Ting 
Published: April 2023

AbstractHuman beings have a greater need to pursue life and manage personal or family health in the context of the rapid growth of artificial intelligence, big data, the Internet of Things, and 5G/6G technologies. The application of micro biosensing devices is crucial in connecting technology and personalized medicine. Here, the progress and current status from biocompatible inorganic materials to organic materials and composites are reviewed and the material‐to‐device processing is described. Next, the operating principles of pressure, chemical, optical, and temperature sensors are dissected and the application of these flexible biosensors in wearable/implantable devices is discussed. Different biosensing systems acting in vivo and in vitro, including signal communication and energy supply are then illustrated. The potential of in‐sensor computing for applications in sensing systems is also discussed. Finally, some essential needs for commercial translation are highlighted and future opportunities for flexible biosensors are considered.
Dithieno[3,2‐f:2′,3′‐h]quinoxaline‐Based Photovoltaic–Thermoelectric Dual‐Functional Energy‐Harvesting Wide‐Bandgap Polymer and its Backbone Isomer
Authors: Yoon Seong‐Jun , Choi Kang Suh , Zhong Lian , Jeong Seonghun , Cho Yongjoon , Jung Sungwoo , Yoon Sang Eun , Kim Jong H. , Yang Changduk 
Published: April 2023

AbstractBoth organic solar cells (OSCs) and organic thermoelectrics (OTEs) are promising energy‐harvesting technologies for future renewable and sustainable energy sources. Among various material systems, organic conjugated polymers are an emerging material class for the active layers of both OSCs and OTEs. However, organic conjugated polymers showing both OSC and OTE properties are rarely reported because of the different requirements toward the OSCs and OTEs. In this study, the first simultaneous investigation of the OSC and OTE properties of a wide‐bandgap polymer PBQx‐TF and its backbone isomer iso‐PBQx‐TF are reported. All wide‐bandgap polymers form face‐on orientations in a thin‐film state, but PBQx‐TF has more of a crystalline character than iso‐PBQx‐TF, originating from the backbone isomeric structures of α,α ′/β,β ′‐connection between two thiophene rings. Additionally, iso‐PBQx‐TF shows inactive OSC and poor OTE properties, probably because of the absorption mismatch and unfavorable molecular orientations. At the same time, PBQx‐TF exhibits both decent OSC and OTE performances, indicating that it satisfies the requirements for both OSCs and OTEs. This study presents the OSC and OTE dual‐functional energy‐harvesting wide‐bandgap polymer and the future research directions for hybrid energy‐harvesting materials.
Mechanistic Understanding of Protein Corona Formation around Nanoparticles: Old Puzzles and New Insights
Authors: Nienhaus Karin , Nienhaus Gerd Ulrich 
Published: April 2023

AbstractAlthough a wide variety of nanoparticles (NPs) have been engineered for use as disease markers or drug delivery agents, the number of nanomedicines in clinical use has hitherto remained small. A key obstacle in nanomedicine development is the lack of a deep mechanistic understanding of NP interactions in the bio‐environment. Here, the focus is on the biomolecular adsorption layer (protein corona), which quickly enshrouds a pristine NP exposed to a biofluid and modifies the way the NP interacts with the bio‐environment. After a brief introduction of NPs for nanomedicine, proteins, and their mutual interactions, research aimed at addressing fundamental properties of the protein corona, specifically its mono‐/multilayer structure, reversibility and irreversibility, time dependence, as well as its role in NP agglomeration, is critically reviewed. It becomes quite evident that the knowledge of the protein corona is still fragmented, and conflicting results on fundamental issues call for further mechanistic studies. The article concludes with a discussion of future research directions that should be taken to advance the understanding of the protein corona around NPs. This knowledge will provide NP developers with the predictive power to account for these interactions in the design of efficacious nanomedicines.
Electronic Modulation of Metal‐Organic Frameworks Caused by Atomically Dispersed Ru for Efficient Hydrogen Evolution
Authors: Li Xinyue , Luo Dian , Jiang Fan , Zhang Kuanjian , Wang Shaoxia , Li Shifeng , Zha Qingqing , Huang Yucheng , Ni Yonghong 
Published: April 2023

AbstractDesigning excellent electrocatalysts for the hydrogen evolution reaction (HER) is extremely significant in producing clean and sustainable hydrogen fuel. Herein, a rational strategy is developed to fabricate a promising electrocatalyst by introducing atomically dispersed Ru into a cobalt‐based metal‐organic framework (MOF), Co‐BPDC (Co(bpdc)(H2O)2, BPDC: 4,4'‐Biphenyldicarboxylic acid). The obtained CoRu‐BPDC nanosheet arrays exhibit remarkable HER performance with an overpotential of 37 mV at a current density of 10 mA cm−2 in alkaline media, which is superior to most of the MOF‐based electrocatalysts and comparable to the commercial Pt/C. Synchrotron radiation‐based X‐ray absorption fine structure (XAFS) spectroscopy studies verify that the isolated Ru atoms are dispersed in Co‐BPDC nanosheets with the formation of five‐coordinated Ru‐O5 species. XAFS spectroscopy combined with density functional theory (DFT) calculations unravels that atomically dispersed Ru can modulate the electronic structure of the as‐obtained Co‐BPDC, contributing to the optimization of binding strength for H* and the enhancement of HER performance. This work opens a new avenue to rationally design highly‐active single‐atom modified MOF‐based HER electrocatalysts via modulating electronic structures of MOF.
Financial Digitalization, FinTech, and the Collaborative Economy
Authors: Meier Henri B. , Marthinsen John E. , Gantenbein Pascal A. , Weber Samuel S. 
Published: April 2023

AbstractThe value chains of Switzerland’s incumbent market players, such as banks and insurance companies, will be increasingly challenged by new technologies and competitors like FinTech, InsurTech, and RegTech firms. Digitalization, artificial intelligence, big data, machine learning, smart contracts, data analytics, distributed ledger technologies, robotics, biometrics, and gamification are just a few ingredients spurring the FinTech revolution and breaking up existing value chains. These developments will fuel the consolidation of processes and collaborations with third parties and shift the boundaries between financial services providers. To support new business models in banking and insurance, the Swiss finance sector has invested in its infrastructure to trade digital assets. It has also been one of the very few early movers globally in providing a comprehensive and solid DLT regulation.
Summary and Outlook
Authors: Meier Henri B. , Marthinsen John E. , Gantenbein Pascal A. , Weber Samuel S. 
Published: April 2023

AbstractEfficient financial infrastructures for securities trading and payment services have been (and will be) vital to Switzerland as a world financial leader. Historically, banking secrecy was thought to be a critical element in the development of Switzerland's financial sector. Today, the interplay of different types of financial intermediaries and institutional investors and the country's vital interest in having an independent central bank and a stable Swiss franc is at its core. These attributes form the basis for the country's well-functioning debt, equity, and derivatives markets. Switzerland has succeeded despite many counterproductive regulations and taxes. To secure its standard of living, digital transformation and global competition make it more important than ever to channel investments into undertakings at the forefront of technological innovation.