bluuebunny/crossref_metadata_2025 huggingface dataset:
Highly Tough and Reliable Poly(Amic Acid) with Ballistic Impact‐Resistance through Modulation of Hydrogen Bonding Interactions
Authors: Zhang Qiang , Yue Ling , Yan Rui , Liaw Der‐Jang , Shi Jianzhong , Li Zhen , Liang Chenyu , Cheng Yilong , Ge Zhishen , Zhang Yanfeng
Published: April 2023

Poly(amic acid) (PAA) materials as the precursor of polyimide generally show remarkably poor mechanical properties, thus limiting their application as the engineering plastics. In this study, it is demonstrated that the mechanical properties of PAA materials can be improved significantly for tens of folds with breaking strength >50 MPa, Young's modulus >400 MPa, and elongation at break >300% by incorporation of 20% (mol%) poly(propylene glycol) (PPO) soft segments. The optimization for suitable hard–soft composition with 20% PPO and the existence of various hydrogen bonds with different binding energies can dissipate energies efficiently, which simultaneously improve the material strength and toughness. In addition, PAA82 films exhibit excellent tolerance toward cyclic stretch, and have the capability to resist various harsh conditions including solar radiation testing (1 sun), heat (85 °C), alkalinity (pH 10), and acidity (pH 4) over one month. Noted that PAA82 films can be laminated with Kapton films, which show excellent resistance to ultrahigh (200 °C) and ultralow temperature (−196 °C). The laminated film also exhibits bulletproof property with a thickness of 6 mm. The strategy via modulation of hard–soft compositions and hydrogen bonds in PAA materials shows great potentials to improve the mechanical properties of polymeric materials.
Fish Oil in Glaucoma Treatment: From Biological Functions to Clinical Potential
Authors: Ye Huali , Liu Yunyi , Xu Zhike , Wei Xin
Published: April 2023

Glaucoma is the leading cause of irreversible vision loss worldwide, and multiple risk factors influence its pathogenesis and progression, including age, increased intraocular pressure (IOP), low‐grade inflammation, oxidative stress, and ocular blood flow deficits. IOP‐lowering therapy is currently the most effective way to control glaucoma progression; however, due to insufficient response and persistent retinal neural degeneration, the result may not always be satisfactory. In recent decades, fish oil, an omega‐3 dietary supplement, is reported to be beneficial to glaucoma patients, but its efficiency and underlying mechanisms remain unclear. Intriguingly, glaucoma patients have lower omega‐3 fatty acid blood levels, especially docosahexaenoic acid and eicosapentaenoic acid. Dietary omega‐3 supplementation in patients may normalize levels of fatty acid and, thereby, enhance their effects. Therefore, fish oil may serve as an area of new focus for glaucoma treatment studies. In this review, the study summarizes the roles of active ingredients in fish oil in delaying glaucoma development, including lowering IOP, regulating blood supply, alleviating inflammation, and diminishing oxidative stress, with a view to promoting the development of the clinical management of glaucoma.
On‐chip terahertz whispering gallery mode resonator with high‐Q based on multislot waveguide
Authors: Zhou Yanru , Xu Kai , Xin Chenguang , Liu Wenyao , Xing Enbo , Tang Jun , Liu Jun
Published: April 2023

A whispering gallery mode resonator (WGMR) with a high‐quality factor and large coupling spectrum width can enhance the interaction of matter and lightwave by several orders of magnitude in a large bandwidth range. The performance of the resonator determines the accuracy and range of terahertz (THz) sensing. However, the quality factors of the reported THz WGMRs are highly limited by the high absorption loss of materials within THz spectral range. The coupling spectrum width is usually limited by the coupling structure. In this paper, an on‐chip THz whispering gallery mode resonator based on multislot waveguide and gradual coupling structure is proposed. By increasing the evanescent field of guided wave mode, the absorption loss in the resonator is significantly reduced. Through gradual coupling structure, resonance curves are more uniform within a wide spectrum. The simulation results show that the structure can improve the instinct quality factor of the THz resonator to the order of when the bending radius is as small as 2mm. At the same time, sensitivity is increased by more than six times and uniform resonance curves are achieved from THz.
Highly sensitive measurement of trace methane gas using mid‐infrared tunable diode laser absorption spectroscopy method
Authors: Huang Yong , Fu Wei , Yang Shang , Li Chunguang , Hu Xiewen , Zhang Mengru , Chen Chen , Chang Shuaipeng
Published: April 2023

To monitor the concentration of harmful gas methane (CH4) in the tunnel in real time, a high‐sensitivity measurement method for CH4 trace gas based on tunable diode laser absorption spectroscopy (TDLAS) is designed in this paper. An interband cascade laser with the emission wavelength of 3.29 μm was used to target noninterference CH4 lines at 3038.5 cm−1. To diminish the background noise of the sensor system, wavelength modulation spectroscopy combined with a second harmonic measurement technique was used in this work. Finally, 1.83 parts per billion in volume (ppbv) minimum measurement limit (MML) was obtained with a 4 s integration time based on an Allan‐Werle variance analysis, and the MML can be further improvedto ∼0.4 ppbv by increasing the integration time up to 104 s. Indoor and outdoor environmental data of CH4 acquired using the TDLAS sensor system are also reported.
Dual‐band crescent‐shaped slot patch antenna for wireless communications and IoT applications
Authors: Ketavath Kumar N.
Published: April 2023

The investigation of two half circular patch (HCP) antenna with defected ground structure to operate dual bands is presented in this study for wireless communications. The crescent slots etched on the HCPs are proposed to operate the dual bands of below −10 dB reflection coefficient, with the impedance bandwidth of the first band being 740 MHz (3.01–3.75 GHz) and of the second band being 7120 MHz (6.74–13.86 GHz). The proposed HCP antenna was resonates of 3.36 and 12.17 GHz with −33.9 and −35.47 dB reflection coefficients. This antenna produces a maximum gain of 5.46 and 6.61 dB for these resonating frequencies, respectively. The simulation and measured radiation pattern results are also presented for proposed HCP antenna and it operates for wireless communications and internet of things applications.
Nurses' self‐efficacy and well‐being at work amid the COVID‐19 pandemic: A mixed‐methods study
Authors: Alquwez Nahed
Published: April 2023

Aims

To explore the factors associated with the nurses' well‐being at work.

Design

A sequential explanatory mixed‐methods design.

Methods

The quantitative part of the study included a conveniently sampled 271 nurses employed in healthcare facilities in the Riyadh region of Saudi Arabia. A purposive sample of 21 nurses were interviewed in the qualitative part of the study. Data collection was performed from May to August 2021. This article followed the STROBE checklist.

Results

Nurses working in private hospitals reported higher level of self‐efficacy than nurses in public hospitals. Being a Filipino, working in private hospital, and having higher self‐efficacy were associated with better well‐being at work among nurses during the pandemic. The thematic analysis revealed four important themes in understanding their well‐being at work: safe work environment, ensuring staff nurses' health, leadership support, and solidarity in the workplace.
An injectable chitosan/laponite hydrogel synthesized via hybrid cross‐linking system: A smart platform for cartilage regeneration
Authors: Ranjbardamghani Fatemeh , Eslahi Niloofar , Jahanmardi Reza
Published: April 2023

Thermo‐responsive polymeric hydrogels have received great attention in recent years. The current study aimed to fabricate and characterize injectable chitosan/laponite (CS‐L) hydrogels using a hybrid cross‐linking method by genipin and β‐glycerophosphate (BGP). Fourier transform infrared analysis confirmed the ionic and covalent interactions between the employed materials in the hydrogels. Scanning electron microscope images showed a decrease in the mean pore size from 129 to 83 μm after the incorporation of 1% laponite into the hydrogels. Energy dispersive X‐ray analysis proved the uniform distribution of laponite in the hydrogels. Besides, the gelation time of the chitosan/laponite hydrogels declined in comparison to the chitosan hydrogel owing to the presence of abundant hydroxyl groups in the laponite structure. Rheological investigations revealed 600% improvement in the storage modulus after the incorporation of 1% laponite. The compression test results similarly showed that the elastic modulus and compressive strength of CS‐L1% were significantly enhanced in comparison with pristine polymeric hydrogel. Non‐toxicity and antibacterial properties of the hydrogels demonstrated 95% cell viability and 99% antibacterial activity, respectively. In conclusion, the obtained results confirmed that the introduced hybrid hydrogels are appropriate candidates for cartilage tissue engineering applications.
Comparisons of enhanced thermal neutron‐ and gamma‐shielding properties in UHMWPE composites containing surface‐treated Sm2O3 and Gd2O3 particles
Authors: Toyen Donruedee , Anekratmontre Thitisorn , Wimolmala Ekachai , Thamrongsiripak Nuatawan , Rungseesumran Thiti , Saenboonruang Kiadtisak
Published: April 2023

The rapid development and broad utilization of nuclear technologies has raised safety concerns, especially for those requiring radiation‐shielding equipment. To cope with such high demands and risks, the current study investigated the potential of utilizing ultra‐high‐molecular‐weight polyethylene (UHMWPE) composites containing varying contents of surface‐treated samarium oxide (Sm2O3) or gadolinium oxide (Gd2O3) particles as dual thermal neutron‐ and gamma‐shielding materials. The results showed that the thermal neutron‐ and gamma‐shielding abilities of the composites increased with increasing filler contents, as evidenced by the highest values of μ (in the case gamma rays), ∑t (in the case of thermal neutrons), and μm, as well as the lowest values of HVL and TVL, being achieved in the samples containing 25 wt% Sm2O3 or Gd2O3 (the maximum content investigated). Furthermore, based on the comparative thermal neutron‐shielding properties of the current composites to those of a common shielding product containing 15.9 wt% B2O3 (corresponding to 5 wt% B), the addition of 2.5 wt% Gd2O3 or 4.8 wt% Sm2O3 to the UHMWPE matrix was sufficient to attenuate thermal neutrons with equal efficiency to that of the referenced material. Furthermore, the results indicated that the addition of both fillers increased the density and hardness (Shore D) but reduced the degree of crystallinity, tensile strength, elongation at break, and dielectric strength of the composites, for which the degree of changes in each property largely depended on filler types and contents. In summary, the overall results suggested that both Sm2O3 and Gd2O3 could substantially enhance the thermal neutron‐ and gamma‐shielding properties of the composites, while the developed UHMWPE composites offered durability and excellent electrical properties that could be suitable for use in various applications.
Enhancing the mechanical properties and heat resistance of epoxy resin via blending with polythioetherimide
Authors: Xu Gang , Tan Liyun , Liu Keyuan , Yang Rongqiang , Nie Yong , Fang Xingzhong , Chen Guofei
Published: April 2023

In this work, poly(thioetherimide) (PTEI) was used to enhance the mechanical properties and thermal stability of an epoxy resin (EP),N,N,N′,N′‐tetraglycidyl‐4,4′‐diaminodiphenylmethane (TGDDM). The effect of PTEI on curing behavior, dynamic mechanical, thermal properties, mechanical properties and phase morphology were carefully investigated. The addition of PTEI could improve the performances of EP, and even if only low content of PTEI was added, the heat resistance and mechanical properties were improved, especially for the fracture toughness. When the addition of PTEI was 2 wt%, the impact strength, fracture toughness, elongation at break, tensile strength, and flexural strength of the modified epoxy increased by 78%, 50%, 25%, 30%, and 20%, respectively. In addition, phase morphology was also discussed to validate the results of thermal and mechanical analysis. All these results proved the superior performance of the modified EP.
Ultrasound guidance versus landmark guidance for intrathecal baclofen pump refill: A randomized pilot study
Authors: Stone Shane N. , Wei Daniel , Reger Christopher
Published: April 2023

Background

Refilling difficult‐to‐access intrathecal baclofen (ITB) pumps by a trainee can result in longer procedures, more needle punctures, and more frequent attending interventions. Though ultrasound guidance can be used, there has not been an investigation into the impact of ultrasound guidance on refill outcomes.

Objective

To determine the feasibility of ultrasound guidance during difficult ITB refills to improve the experience of patients and providers.

Design

Nonblinded, randomized controlled trial with crossover element.

Setting

Outpatient clinic at a tertiary academic rehabilitation hospital.

Participants

Patients ≥18 years old with historically difficult refills who were scheduled for repeat refills. “Difficult” was defined as body mass index > 30.0, a deep/tilted pump, previously requiring >1 skin puncture, or previously needing special positioning to access.

Interventions

Consented participants were randomized into a template‐guided group (control) or an ultrasound‐guided group (experimental) using a coin flip. Patients were crossed over if (1) a second refill occurred during the study period or (2) the randomized technique failed.

Main Outcome Measures

The primary measure was time spent with needle under skin (seconds). Number of needle punctures and needle passes, frequency of attending intervention, pain during and after the procedure, patient satisfaction, and practitioner perceived difficulty were investigated.

Results

Seventeen patients underwent 21 refills (12 template guided and 9 ultrasound guided). No patients experienced adverse events. Although without statistically significant difference, the average time in the experimental group was shorter than the control (175 seconds vs 401 seconds), there were fewer episodes of multiple needle punctures (0 vs 2), multiple needle passes (2 vs 5), and attending interventions (0 vs 3) in the experimental group. No significant/clinical difference was found in pain during procedure, pain after procedure, patient satisfaction, or practitioner subjective difficulty.

Conclusions

This pilot study demonstrates that ultrasound‐guided ITB refills may reduce time spent with the needle in the skin, number of needle punctures, number of needle passes, and frequency of attending intervention during trainee refilling of pumps that are difficult to access.
Reaction calorimetry: Main types, simple theory, and application for kinetic study—A review
Authors: Kossoy Arcady
Published: April 2023

Reaction calorimetry is a powerful experimental method widely used for reaction hazard assessment in chemical engineering for chemical process design and in other fields. Currently, several types of reaction calorimeters are available, each with its own features. Many articles and several monographs have been published dealing with various aspects of reaction calorimetry, but it is difficult to find an overview of different types of instruments and the theoretical basis of reaction calorimetry in one review in a compact form. The purpose of this article is to fill this gap as much as possible and to help in understanding the principles of this useful experimental method and in choosing the type of instrument most suitable for the purposes of a particular study. The review concludes with some recommendations for the proper organization of an experiment in reaction calorimetry, with an emphasis on the kinetic study. The usefulness of kinetics based on reaction calorimetry data is illustrated by an example of using kinetics to design an industrial process.
Population structure of ALS‐inhibiting herbicide‐resistant Sonchus oleraceus in South Australia
Authors: Merriam Alicia B , Malone Jenna M , Hereward James P , Gill Gurjeet , Preston Christopher
Published: April 2023

Background

Annual sowthistle is a weed that is difficult to control in lentil crops in southern Australia due to a lack of herbicide options, widespread herbicide resistance and prolific production of highly mobile seed. This study investigates herbicide resistance in annual sowthistle in the Mid‐North (MN) and Yorke Peninsula (YP) regions of South Australia, identifies and characterizes the mechanisms of acetolactate‐synthase (ALS)‐inhibitor resistance in this amphidiploid species, and combines this with analyses of population structure and gene flow.

Results

ALS‐inhibitor‐resistant annual sowthistle is widespread across the YP and MN of South Australia and is associated with a variety of Proline‐197 mutations of the ALS gene, including leucine, alanine, arginine, serine, threonine and histidine. These mutations were found in different combinations on either of the two copies of the ALS gene. An additional 200 tissue samples were collected from across a single field on the YP and the ALS gene was sequenced for all these individuals. Different ALS‐inhibitor resistance profiles were evident between mutation combinations and within mutation combinations, possibly mediated by differing subgenome assortment of the mutations, or altered gene experession of the two ALS homeologs. Population genetics analysis showed evidence of long‐distance dispersal, resulting in highly mobile resistance genes, and multiple instances of resistance mutation evolution.

Conclusions

Continuing selection of Sonchus oleraceus populations with ALS‐inhibiting herbicides has resulted in the accumulation of additional mutations within the ALS gene. New practices to control herbicide‐resistant S. oleraceus should be examined, and control should focus on reducing seed set and dispersal to prevent the spread of emerging cases of resistance. © 2023 The Authors. Pest Management Science published by John Wiley & Sons Ltd on behalf of Society of Chemical Industry.
Energy‐Efficient Operation Conditions of MoS2‐Based Memristors
Authors: Kurtash Vladislav , Jacobs Heiko O. , Pezoldt Jörg
Published: April 2023

Sufficient energy consumption for conventional information processing makes it necessary to look for new computational methods. One of the possible solutions to this problem is neuromorphic computations using memristive devices. Memristors based on molybdenum disulfide () are a promising way to provide a sizeable amount of hysteresis at low energy costs. Herein, different configurations of memristors as well as the mechanisms involved in hysteresis formation are shown. Bottom gated configuration is beneficial in terms of hysteresis area and energy efficiency. The impact of device channel dimensions on the hysteresis area and energy consumption is discussed. Different operation conditions with triangular, rectangular, sinusoidal, and sawtooth drain‐to‐source pulses are simulated, and rectangular pulses demonstrate the highest energy efficiency. The study shows the potential to realize low‐power neuromorphic systems using memristive devices.
Toward Low‐Power Cryogenic Metal‐Oxide Semiconductor Field‐Effect Transistors
Authors: Knoch Joachim , Richstein Benjamin , Han Yi , Frentzen Michael , Rainer Schreiber Lars , Klos Jan , Raffauf Lena , Wilck Noel , König Dirk , Zhao Qing-Tai
Published: April 2023

Herein, cryogenic field‐effect transistors (FETs) are discussed. In particular, the saturation of the subthreshold swing due to band tailing is studied. It is shown with simulations and experiments that engineering of the oxide‐channel interfaces and a strong increase of the gate oxide capacitance are effective in improving the switching behavior of the device. The implication of scaling the oxide capacitance on the power consumption of cryogenic devices is investigated, too. Furthermore, an alternative for conventional doping in cryogenic transistors is discussed. Based on synchrotron X‐Ray absorption spectroscopy at total fluorescence (XAS‐TFY) and ultraviolet photoemission spectroscopy (UPS) measurements, it is shown experimentally that in true nanoscale devices, a simple coating yields a shift of the conduction band that is equivalent to a very high dopant concentration. As a result, nanoscale cryogenic steep slope FETs with strongly improved electrical characteristics become feasible.
Substrate Terrace Width Dependence of Direct Growth of GaN on ScAlMgO4 by Radio‐Frequency Molecular Beam Epitaxy
Authors: Wada Yuichi , Deura Momoko , Kuroda Yuya , Goto Naoki , Kayamoto Seiya , Fujii Takashi , Mouri Shinichiro , Araki Tsutomu
Published: April 2023

ScAlMgO4 (SAM) substrates have attracted considerable attention as platforms for GaN growth in recent years because GaN can be grown directly on SAM without any buffer layer. Herein, the effect of the terrace width of SAM substrates on direct GaN growth is investigated using radio‐frequency molecular beam epitaxy (RF‐MBE). A flat and single wurtzite (WZ)‐phase GaN film is grown on a SAM substrate with a large terrace width. In contrast, a rough GaN film with a mixture of WZ and zinc‐blende (ZB) phases is obtained on SAM with a small terrace width. The SAM step height of 0.8 nm corresponds to three GaN molecular layers. Therefore, ZB stacking faults may be generated during the coalescence of islands located on adjacent terraces, although only the WZ‐GaN islands grow in the initial growth stage. This indicates that SAM substrates with a larger terrace width, that is, a smaller off‐cut angle, are preferable for obtaining a flat WZ‐GaN film.
Assimilation of surface‐sensitive bands' clear‐sky radiance data using retrieved surface temperatures from geostationary satellites
Authors: Okabe Izumi , Okamoto Kozo
Published: April 2023

Clear‐sky radiances (CSRs) derived from observations made by imager sensors on board geostationary satellites are widely used in most operational numerical weather prediction systems. CSRs have data on tropospheric water vapour and temperatures, and the products at water vapour bands are generally assimilated into global data assimilation systems. In another band, known as the CO2 band (13.3–13.4 μm), CSRs are not used widely yet, despite having a wealth of information about temperatures in the mid‐ and low troposphere. This is mainly because of the high surface sensitivity of this band, which makes it difficult to accurately simulate brightness temperatures when there are non‐negligible errors in the surface parameters in the models. This article quantitatively investigated the surface sensitivities of CO2 and water vapour bands, which have the sensitivity under dry atmospheric conditions, and developed retrieval of land surface temperature (LST) from window band CSRs to obtain a more accurate simulated brightness temperature. Additionally, it was discovered that the retrieved LST outperformed that from the model in short‐range forecasts for the low‐water‐vapour band (7.3 μm) CSR data assimilation, and throughout the forecasting period, especially in the tropics, for the CO2 band CSR data assimilation. We also examined an unexpected improvement in the low troposphere in the model's LST trials, and we concluded that it was related to the relationship between the LST and atmospheric temperature biases.
Interleukin‐6 inhibitory effect of natural product naringenin compared to a synthesised monoclonal antibody against life‐threatening COVID‐19
Authors: AmeliMojarad Melika , AmeliMojarad Mandana
Published: April 2023

Coronavirus Disease 2019 (COVID‐19) has become a global pandemic in 2020 with high patient mortality due to acute respiratory distress syndrome which is possibly induced by a Cytokine release syndrome and more specifically through an interleukin‐6 (IL‐6) booster. Currently, IL‐6/IL‐6R inhibitors indicated an effective function in reducing the inflammatory markers in severe COVID‐19 patients. In this comprehensively narrative review, we searched online academic databases including (Google Scholar, Web of Science, and Pub Med), the relevant literature was extracted from the databases by using search terms of COVID‐19, IL‐6, and IL6 inhibitor as free‐text words and also with the combination with OR/AND to summarise the latest discoveries on the inhibitors of IL‐6 and its receptor's especially focussing on the role of natural product, Naringin (NAR) as a flavonoid found in citrus fruits, with considerable anti‐inflammatory and antiviral properties in COVID‐19 treatments. Our data Therefore in comparison with other synthetic monoclonal antibodies NAR may provide a good qualification for the development of novel anti‐inflammatory agents, especially against Covid 19 based on recent studies.
Epstein‐Barr virus regulates the life cycle and host cell biology by hijacking post‐translational modification
Authors: Zhang Xing , Zhang Yan , Liu Wen , Luo Bing
Published: April 2023

Protein post‐translational modifications (PTMs) are reversible processes that regulate the function of target proteins without altering their sequences. High‐throughput sequencing surveys have provided insights into the patterns of PTMs, such as ubiquitination, SUMOylation, and phosphorylation. After primary infection, the Epstein‐Barr virus (EBV), a ubiquitous herpesvirus, establishes a life‐long latent infection. EBV can establish a delicate balance to regulate its proliferation and host cell survival. Owing to the limited gene products of EBV, interfering with the host PTM machinery is an effective way to alter host immune responses and physiological status and establish infection. In this review, we focus on the current knowledge of the mechanisms by which EBV products manipulate host ubiquitination, SUMOylation, and phosphorylation to establish a latent infection or favour viral replication and pathogenesis.
Proopiomelanocortin (POMC) and Psychodermatology
Authors: Millington George W. M. , Palmer Hannah E.
Published: April 2023

Psychodermatology is the crossover discipline between Dermatology and Clinical Psychology and/or Psychiatry. It encompasses both Psychiatric diseases that present with cutaneous manifestations (such as delusional infestation) or more commonly, the psychiatric or psychological problems associated with skin disease, such as depression associated with psoriasis. These problems may be the result either of imbalance in or be the consequence of alteration in the homoeostatic endocrine mechanisms found in the systemic hypothalamic-pituitary-adrenal axis or in the local cutaneous corticotrophin-releasing factor-proopiomelanocortin-corticosteroid axis. Alteration in either of these systems can lead to immune disruption and worsening of immune dermatoses and vice-versa. These include diseases such as psoriasis, atopic eczema, acne, alopecia areata, vitiligo and melasma, all of which are known to be linked to stress. Similarly, stress and illnesses such as depression are linked with many immunodermatoses and may reflect alterations in the body's central and peripheral neuroendocrine stress pathways. It is important to consider issues pertaining to skin of colour, particularly with pigmentary disorders.
A Toddler with Systemic Contact Dermatitis Caused by Diabetes Devices
Authors: Lyngstadaas Anne Viktoria , Holm Jan-Øivind , Krogvold Lars , Måløy Anne Karin , Ingvaldsen Christoffer Aam
Published: April 2023

Continuous glucose monitors (CGM) and insulin pumps have become the preferred treatment option for most young children and adolescents with type 1 diabetes (T1D), by avoiding fingerstick testing and providing real-time glucose measurements. These medical devices and their adhesives contain substances which have been identified as being responsible for allergic contact dermatitis. We describe the case of a toddler who developed severe contact dermatitis from her diabetes devices, leading to secondary infections and hospital admissions. This was followed by the development of a symmetrical exanthema with retroauricular and glutaeal distribution. Patch tests were positive for isobornyl acrylate (IBOA) and 4-tert-butylcatechol (PTBC). Her symmetrical exanthema was interpreted as systemic contact dermatitis due to IBOA and PTBC in her diabetes devices. We suspect that systemic contact dermatitis is an underreported complication in diabetic patients.
Catalyst‐Free Hydrogenolysis of Lignin β‐O‐4 Ketone Models with Water as an H‐transfer Reagent
Authors: Ma Yanjin , Wang Haijun , Li Minghao , Ren Yun‐Lai
Published: April 2023

It was found that lignin β‐O‐4 ketone models could undergo smoothly the hydrogenolysis via light‐induced water‐donating transfer hydrogenation, which provides an example of using inexpensive and eco‐friendly water as the H‐transfer reagent to enable hydrogenolysis of lignin β‐O‐4 ketone models under catalyst‐free condition. Preliminary mechanistic investigations suggest that the mechanistic pathway involves the formation of acetophenone radicals.
Synthesis and Exploration of New Imidazo[4,5‐c]Pyrazoles as Potent α‐Amylase Inhibitors
Authors: Nabil Shabaan Sara , Saleh Alshehri Fawzia , Fadel AL‐Rasheed Jinan , El‐Sebaey Samiha A. , Husseiny Ebtehal M.
Published: April 2023

To identify new leads of small molecules as α‐amylase inhibitors, the current research is focused on the assessment of imidazopyrazoles. Hence, a set of novel imidazo[4,5‐c]pyrazoles was synthesized via simple versatile straightforward synthetic routes and was estimated for their in vitro α‐amylase inhibition activity. The findings revealed that diphenylaminomethyl and phenylcarbamodithioate derivatives elicited potent α‐amylase inhibition activities with IC50 values of 0.071 and 0.083 μM, respectively that were comparable to acarbose (IC50 0.060 μM). Molecular docking and in silico studies were performed for the most active derivatives and demonstrated that docked compounds have good binding affinities toward α‐amylase with binding free energies that are very similar to that of acarbose. Furthermore, these compounds demonstrated not only significant biological activity but also noteworthy physicochemical properties, drug‐likeness, and good pharmacokinetics. As a result, such compounds offered a robust opportunity for further development and optimization of the imidazopyrazole scaffold for the potential management of Type II Diabetes Mellitus.
The Mechanism of Growing MoS2 via Sulfuration of Molybdenum Hexacarbonyl: First principles study
Authors: Yang Ming‐Zhe , Wang Qi‐Bo , Xu Qin‐Qin , Yin Jian‐Zhong
Published: April 2023

Transition metal dichalcogenides (TMDCs) films are potential two‐dimensional materials for next‐generation optoelectronic and electronic devices. Chemical Vapor Deposition, Atomic Layer Deposition, and Metal‐Organic Chemical Vapor Deposition are usually used for the synthesis of the MoS2 films by taking Mo(CO)6 as precursors. However, the mechanism of adsorption and reaction of Mo(CO)6 on the substrate at the molecular level are hardly to know only by the experiments. In this study, the detailed reactions of Mo(CO)6 on α‐Al2O3(0001) are investigated by density functional theory to demonstrate the growth mechanism of MoS2. It is found that, Mo(CO)6 could form a stable chemical bond with the Al‐1 site on the surface, which has large adsorption energy and charge transfer. The decomposition of Mo(CO)6 into Mo(CO)3 exists in a clear order, with the top carbonyl composing firstly, follow by the two parallel carbonyls. In order to determine the stable model of Mo(CO)3, adsorption energy and DOS are analyzed. The Ead is −5.65 eV and the 4d5 s orbitals of Mo atom overlap with the 2 s2p orbitals of O atom, indicating the new chemical bond is forming in 3O‐Al‐2 model. Finally, the LST/QST (Linear Synchronous Transit/Quadratic Synchronous Transit) method is used to search for transition states of Mo(CO)3 sulfuration reactions with CH3S2CH3, H2S, and S2 respectively. This paper provides a theoretical basis for the experimental preparation of MoS2 and provides research ideas for the general synthesis of TMDCs.
Quinolines: Privileged Scaffolds for Developing New Anti‐neurodegenerative Agents
Authors: Chauhan M.Sc.Shivani , Umar Tarana , Aulakh Manpreet K.
Published: April 2023

The burden of neurodegenerative diseases is emerging with the increase in life expectancy. It is a great challenge to develop effective methods of preventing these diseases and to treat them. Quinoline and its derivatives have numerous biological effects. They show significant anti‐neurodegenerative activity. Quinoline compounds are used to develop various anti‐neurodegenerative drugs as they have demonstrated fantastic effects through numerous mechanisms of action. A lot of quinoline compounds have been studied till now for their anti‐neurodegenerative properties. Quinoline scaffold among all heterocyclic compounds has emerged as a critical building block for the production of a variety of novel medications. Many heterocyclic substituent quinoline derivatives with good anti‐neurodegenerative activity are discussed in this review. Such as PBT2 that has shown potential to reduce cerebrospinal fluid Aβ, and improve cognitive functions, quinoline‐chromenone and acridine‐chromenone hybrids that act as anti AChE agents. Further molecules like coumarin‐quinoline derivatives, 1,2,3,4‐tetrahydroquinoline‐2,3,4‐trione 3‐oximes and Clioquinol has been discussed as a possible anti‐Neurodegeneration medication. The efficacy of quinoline derivatives to cure neurodegenerative diseases and save the central nervous system in early stage has nurtured the interest of researchers to increase the search in this area.
C−N and C−C Bond Formation in Annulation and Aromatization through Metal‐Catalyzed Photoredox C−H Functionalization
Authors: Patel Parth , Patel Dixita , Chikhalia Kishor
Published: April 2023

The construction of heterocyclic nucleus by enabling photoredox C−H functionalization is an efficient, resurgence, and astonishing evolution for many different scientific disciplines. Recent research has shown interest in photolytically activated radical species, which involve the generation of an annulative or aromatic nucleus by triggering C−H bond cleavage. Single‐electron‐transfer (SET) events between substrates and a metal photocatalyst are eye‐catching synthesis under visible light irradiation. The approach functions without the need for substrate preactivation by employing reductive or oxidative quenching cycles to initiate SET. When a single electron is added at a deficiency, causes electron circulation, which results in cascade radical cyclization. They are found to be a prevalent, powerful, and reliable technique for the modern synthesis of valuable molecular entities. In current review photoredox catalyzed distinct radical generation strategies and transformations acting through a proton coupled electron transfer (PCET), C−H functionalization to form carbon‐carbon and carbon‐nitrogen atom bond are discussed.
Identification of Potential Electrolyte Additives via Density Functional Theory Analysis
Authors: Hu Yanyan , Yang Xiaolong , Lv Ying , Yao Chengyu , Liu Xin , Huang Bo , Liu Tao , Yu Haizhu
Published: April 2023

With the ongoing progress in updating electrode materials and electrolyte components, the performance of lithium‐ion batteries (LIBs) has been greatly improved in the past decades. Specifically, density functional theory (DFT) calculations have emerged as a convenient and reliable strategy, especially to comprehend the origin for the improved electrochemical performances induced by certain reagent. Herein, DFT calculations have been utilized to analyze the plausibility of electrolyte additives for six groups of heterocyclic molecules (including N‐, O‐, S‐, N,O‐, S,N/O‐containing cyclic structures, and other cyclic ones, with 110 molecules in total). VC was used as the reference, as we aim to develop the additives with higher reductivity and high‐voltage stability etc. than that of VC. With the filter of LUMO, HOMO, HOMO‐LUMO gap, and Li+ binding energies, 6 molecules were finally screened out. The synthesis of one sulfate‐containing structure (i. e. 85) and its improved electrochemical performance of LIBs supports the theoretical prediction.
Metal‐Free Synthesis of Pyrimidine and Naphthoquinone‐Fused Pyrroles from Arylglyoxal‐Based Domino Reactions
Authors: Panday Anoop Kumar , Ali Danish , Parvin Tasneem , Choudhury Lokman H.
Published: April 2023

Herein we report acid mediated two and three‐component domino reactions of cyclic enamines such as 2‐amino‐1,4‐naphthoquinone, and 6‐amino‐1,3‐dimethyluracil with arylglyoxals for the synthesis of diverse fused pyrroles. The two‐component reaction of arylglyoxal and 2‐amino‐1,4‐naphthoquinone in the acetic acid medium provided substituted naphthoquinone‐fused pyrroles tethered with hydroxyl and aryl substituents. On the other hand, under similar reaction conditions, the reaction of phenylglyoxal with 6‐amino‐1,3‐dimethyluracil provided an unusual bipyrrolopyrimidine with a quaternary carbon center following a domino reaction involving the formation of five new sigma bonds in one‐pot. Interestingly, the reaction of arylglyoxals with 6‐amino‐1,3‐dimethyluracil in ethanol medium in the presence of 10‐mol% PTSA provided a three‐component product having pyrimidine fused pyrrole linked with 6‐aminouracil moiety. We have also developed a three‐component reaction of 2‐amino‐1,4‐naphthoquinone, arylglyoxals, and 4‐hydroxy‐1‐methylquinolin‐2(1H)‐one for the synthesis of naphthoquinone‐fused pyrroles linked with hydroxyquinoline derivatives.
Recent Advances of Michael/hetero‐Michael Addition Reaction in the Synthesis of 3‐Nitro‐2H‐chromene Derivatives
Authors: Das Tapaswini , Mohapatra Seetaram , Pradhan Asit Kumar , Nayak Sabita
Published: April 2023

3‐Nitro‐2H‐chromene and derivatives are the significant structural building blocks of many natural products and pharmacologically active compounds. So, great deals of effort have been made for the development and improvement of 3‐nitro‐2H‐chromene functionalized scaffolds by utilizing different methodologies. Among the various strategies, Michael/hetero‐Michael addition reactions to 3‐nitro‐2H‐chromene have been established as the most vibrant and unique research area for the construction of diverse C−C and C−X (X=heteroatoms) bonds providing versatile 2H‐chromene frameworks. In recent years, a broad range of efficient Michael donors has been explored extensively which motivates the scientific community to work on these useful 2H‐chromene frameworks in presence of different bases, transition metals, organocatalysts, and base/catalyst‐free conditions. Considering the importance of this research field, the present review highlights the major advancements of Michael/hetero‐Michael addition reaction to 3‐nitro‐2H‐chromenes utilizing various Michael donors from the year 2010 to 2022 in a comprehensive manner.
Synthesis, Structures and Antifungal Activity of Selenoglycolurils
Authors: Galochkin Anton A. , Baranov Vladimir V. , Hansford Karl A. , Friberg Louise I. M. , Strel'tzova Elena D. , Lipatov Egor S. , Nelyubina Yulia V. , Kravchenko Angelina N.
Published: April 2023

A synthetic method for the preparation of selenoglycolurils is reported. Target compounds were obtained by two‐stage transformation of unsubstituted, 1‐substituted and 1,3‐disubstituted thioglycolurils by S‐methylation with MeI to the corresponding isothiouronium salts (Step 1) followed by selenation with NaHSe generated in situ from grey Se and NaBH4 (Step 2). Selenoglycolurils possessed potent antifungal activity against Candida albicans and Cryptococcus neoformans (MIC 0.25–0.125 μg/mL) with no discernable toxicity against mamallian cells, supporting the unique role of organoselenium compounds as novel antifungal agents.
Interstitial Hydrogen Atom to Boost Intrinsic Catalytic Activity of Tungsten Oxide for Hydrogen Evolution Reaction
Authors: Yang Jun , Cao Yifan , Zhang Shuyu , Shi Qingwen , Chen Siyu , Zhu Shengcai , Li Yunsong , Huang Jianfeng
Published: April 2023

Tungsten oxide (WO3) is an appealing electrocatalyst for the hydrogen evolution reaction (HER) owing to its cost‐effectiveness and structural adjustability. However, the WO3 electrocatalyst displays undesirable intrinsic activity for the HER, which originates from the strong hydrogen adsorption energy. Herein, for effective defect engineering, a hydrogen atom inserted into the interstitial lattice site of tungsten oxide (H0.23WO3) is proposed to enhance the catalytic activity by adjusting the surface electronic structure and weakening the hydrogen adsorption energy. Experimentally, the H0.23WO3 electrocatalyst is successfully prepared on reduced graphene oxide. It exhibits significantly improved electrocatalytic activity for HER, with a low overpotential of 33 mV to drive a current density of 10 mA cm−2 and ultra‐long catalytic stability at high‐throughput hydrogen output (200 000 s, 90 mA cm−2) in acidic media. Theoretically, density functional theory calculations indicate that strong interactions between interstitial hydrogen and lattice oxygen lower the electron density distributions of the d‐orbitals of the active tungsten (W) centers to weaken the adsorption of hydrogen intermediates on W‐sites, thereby sufficiently promoting fast desorption from the catalyst surface. This work enriches defect engineering to modulate the electron structure and provides a new pathway for the rational design of efficient catalysts for HER.
Discovering Reactant Supply Pathways at Electrode/PEM Reaction Interfaces Via a Tailored Interface‐Visible Characterization Cell
Authors: Wang Weitian , Ding Lei , Xie Zhiqiang , Yu Shule , Canfield Brian , Bender Guido , Wrubel Jacob A. , Pivovar Bryan S. , Zhang Feng‐Yuan
Published: April 2023

In situ and micro‐scale visualization of electrochemical reactions and multiphase transports on the interface of porous transport electrode (PTE) materials and solid polymer electrolyte (SPE) has been one of the greatest challenges for electrochemical energy conversion devices, such as proton exchange membrane electrolyzer cells (PEMECs), CO2 reduction electrolyzers, PEM fuel cells, etc. Here, an interface‐visible characterization cell (IV‐CC) is developed to in situ visualize micro‐scaled and rapid electrochemical reactions and transports in PTE/SPE interfaces. Taking the PEMEC of a green hydrogen generator as a study case, the unanticipated local gas blockage, micro water droplets, and their evolution processes are successfully visualized on PTE/PEM interfaces in a practical PEMEC device, indicating the existence of unconventional reactant supply pathways in PEMs. Further comprehensive results reveal that PEM water supplies to reaction interfaces are significantly impacted with current densities. These results provide critical insights about the reaction interface optimization and mass transport enhancement in various electrochemical energy conversion devices.
Bridging the Buried Interface with Piperazine Dihydriodide Layer for High Performance Inverted Solar Cells
Authors: Song Qi , Gong Hongkang , Sun Fulin , Li Mingxing , Zhu Ting , Zhang Chenhui , You Fangtian , He Zhiqun , Li Dan , Liang Chunjun
Published: April 2023

Given that it is closely related to perovskite crystallization and interfacial trap densities, buried interfacial engineering is crucial for creating effective and stable perovskite solar cells. Compared with the in‐depth studies on the defect at the top perovskite interface, exploring the defect of the buried side of perovskite film is relatively complicated and scanty owing to the non‐exposed feature. Herein, the degradation process is probed from the buried side of perovskite films with continuous illumination and its effects on morphology and photoelectronic characteristics with a facile lift‐off method. Additionally, a buffer layer of Piperazine Dihydriodide (PDI2) is inserted into the imbedded bottom interface. The PDI2 buffer layer is able to lubricate the mismatched thermal expansion between perovskite and substrate, resulting in the release of lattice strain and thus a void‐free buried interface. With the PDI2 buffer layer, the degradation originates from the growing voids and increasing non‐radiative recombination at the imbedded bottom interfaces are suppressed effectively, leading to prolonged operation lifetime of the perovskite solar cells. As a result, the power conversion efficiency of an optimized p‐i‐n inverted photovoltaic device reaches 23.47% (with certified 23.42%) and the unencapsulated devices maintain 90.27% of initial efficiency after 800 h continuous light soaking.
Intracellular Construction of Cathepsin B‐Guided Gadolinium Nanoparticles for Enhanced T2‐Weighted MR Tumor Imaging
Authors: Wei Mengxing , Wang Lulu , Wang Yanfang , Zhang Tong , Wang Chenchen , Wu Chengfan , Tian Changlin , Liang Gaolin , Yuan Yue
Published: April 2023

Magnetic resonance imaging (MRI) is a superior and noninvasive imaging technique with unlimited tissue penetration depth and superb spatiotemporal resolution, however, using intracellular self‐assembly of Gd‐containing nanoparticles to enhance the T2‐weighted MR contrast of cancer cells in vivo for precise tumor MRI is rarely reported. The lysosomal cysteine protease cathepsin B (CTSB) is regarded as an attractive biomarker for the early diagnosis of cancers and metastasis. Herein, taking advantage of a biocompatible condensation reaction, a “smart” Gd‐based CTSB‐responsive small molecular contrast agent VC‐Gd‐CBT is developed, which can self‐assemble into large intracellular Gd‐containing nanoparticles by glutathione reduction and CTSB cleavage to enhance the T2‐weighted MR contrast of CTSB‐overexpressing MDA‐MB‐231 cells at 9.4 T. In vivo T2‐weighted MRI studies using MDA‐MB‐231 murine xenografts show that the T2‐weighted MR contrast change of tumors in VC‐Gd‐CBT‐injected mice is distinctly larger than the mice injected with the commercial agent gadopentetate dimeglumine, or co‐injected with CTSB inhibitor and VC‐Gd‐CBT, indicating that the accumulation of self‐assembled Gd‐containing nanoparticles at tumor sites effectively enhances the T2‐weighted MR tumor imaging. Hence, this CTSB‐targeted small molecule VC‐Gd‐CBT has the potential to be employed as a T2 contrast agent for the clinical diagnosis of cancers at an early stage.
Metastable Polymorphic Phases in Monolayer TaTe2
Authors: Di Bernardo Iolanda , Ripoll‐Sau Joan , Silva‐Guillén Jose Angel , Calleja Fabian , Ayani Cosme G. , Miranda Rodolfo , Canadell Enric , Garnica Manuela , Vázquez de Parga Amadeo L.
Published: April 2023

Polymorphic phases and collective phenomena—such as charge density waves (CDWs)—in transition metal dichalcogenides (TMDs) dictate the physical and electronic properties of the material. Most TMDs naturally occur in a single given phase, but the fine‐tuning of growth conditions via methods such as molecular beam epitaxy (MBE) allows to unlock otherwise inaccessible polymorphic structures. Exploring and understanding the morphological and electronic properties of new phases of TMDs is an essential step to enable their exploitation in technological applications. Here, scanning tunneling microscopy (STM) is used to map MBE‐grown monolayer (ML) TaTe2. This work reports the first observation of the 1H polymorphic phase, coexisting with the 1T, and demonstrates that their relative coverage can be controlled by adjusting synthesis parameters. Several superperiodic structures, compatible with CDWs, are observed to coexist on the 1T phase. Finally, this work provides theoretical insight on the delicate balance between Te…Te and Ta–Ta interactions that dictates the stability of the different phases. The findings demonstrate that TaTe2 is an ideal platform to investigate competing interactions, and indicate that accurate tuning of growth conditions is key to accessing metastable states in TMDs.