bluuebunny/crossref_metadata_2025 huggingface dataset:
Modified hybrid closure approximation for prediction of flow-induced fiber orientation
Authors: Han Kyeong-Hee , Im Yong-Taek
Published: July 2002

Distribution of fiber orientation in flow molding processes with short-fiber reinforcements is of great importance because it affects the mechanical properties of molded parts. Due to trade-off between the computational efficiency and accuracy, a second-order orientation tensor has been widely used to describe the fiber orientation distribution. For calculation of this fiber orientation tensor, a closure approximation has been introduced to reduce a higher fourth-order orientation tensor to a lower second order. In the present investigation, a hybrid closure approximation has been modified. Two parametric forms of the distribution function, which accurately describe the random-in-space, random-in-plane, and uniaxial distributions of the fiber orientation were linearly interpolated. The interpolating factor was obtained as a function of the fiber interaction coefficient by fitting the distribution function calculations. Test simulation in homogeneous flow and nonhomogeneous flow fields, respectively, showed that the proposed closure approximation gives good performance for a wide range of CI values without showing nonphysical behavior.
Patient Perspectives of Health System Barriers to Accessing Care for Hidradenitis Suppurativa
Authors: Barnes Leandra A. , Shukla Neha , Paul Maia , de Vere Hunt Isabella , Halley Meghan C. , Linos Eleni , Naik Haley B.
Published: April 2023

Importance

Patient-perceived barriers to hidradenitis suppurativa (HS) care are poorly understood. Understanding health care barriers is a critical first step toward improving care for this population.

Objective

To characterize the health care experiences of people living with HS, including perceived barriers and facilitators to health care access, and to elucidate potential associations among these barriers and facilitators, health care access, and disease activity.

Design, Setting, and Participants

In this qualitative study, an inductive thematic analysis was conducted on 45 in-depth, 60- to 90-minute semistructured interviews of 45 people with HS from diverse sociodemographic backgrounds that took place between March and April 2020. Individuals were eligible if they could speak English, were 18 years or older, and were diagnosed with HS. A diagnosis of HS was confirmed through physician diagnosis or through self-reported, affirmative response to the validated screening question, “Do you experience boils in your armpits or groin that recur at least every six months?”

Main Outcomes and Measures

Interviews were audio recorded and transcribed verbatim. A modified grounded theory approach was used to develop the codebook, which investigators used for inductive thematic analysis.

Results

Among the 45 participants included, the median (IQR) age was 37 (16) years, 33 (73%) were female, and 22 (49%) were White. There were 6 interrelated themes associated with participant-perceived barriers to accessing HS care: (1) bidirectional associations of disease activity and employment, (2) association of employment with health care coverage, (3) association of health care coverage with costs and perceived access to care, (4) association of costs with access to patient-centered care, (5) health care professional attitudes and knowledge influence patient-centered care and perceived access to care and disease activity, and (6) health system characteristics influence patient-centered care and associated costs, perceived access to care, and disease activity.

Conclusions and Relevance

This qualitative study highlights themes that generate a conceptual model for understanding barriers that may act synergistically to limit health care access and influence disease activity. The disease activity of HS may be reduced when cycle elements are optimized. This study also highlights areas for future investigations and potential systems-level changes to improve access to patient-centered HS care.
Effect of Hierarchical Geometries Matching on the Crashworthiness of Honeycomb
Authors: Adedeji Abdullahi Ahmad , Deng Junjie , Shi Chong , Shen Lumin , Zhu Yuwen , Wang Zhonggang
Published: April 2023

Structural hierarchy has become a popular technique to improve the crashworthiness of engineering structures. A study is conducted to explore the interaction between hierarchical geometries and determine the optimum honeycomb configuration that improves crashworthiness. Nine distinct second‐order vertex‐based hierarchical honeycombs are constructed by iteratively replacing the vertices of a square‐based honeycomb with squares, circles, and octagons. Validated finite element models are then established to investigate the out‐of‐plane crashworthiness performance. Subsequently, the effect of the hierarchical geometry combinations and cell length ratios on the crashworthiness performance of the nine honeycombs is studied. The study showed that the second‐order hierarchical honeycomb exhibited superior crashworthiness performance under the same relative density compared to the regular and first‐order hierarchical square honeycombs. The study determined that the circle is a suitable matching geometry in the first‐ and second‐order hierarchies for improving the crashworthiness of a square‐based honeycomb. Using Complex Proportional Assessment, the Square‐Circle‐Circle ranked as the optimum structure for crashworthiness application.
Ink Tuning for Direct Ink Writing of Planar Metallic Lattices
Authors: Biasetto Lisa , Gleadall Andy , Gastaldi Vanessa
Published: April 2023

316L and Cu‐based inks are developed to 3D‐printed tetrachiral auxetic structures. The main objectives of the work are to study the effects of powders composition and powder:binder volume ratio on rheological properties and printability of the inks. Following these results, customized Gcode is developed using FullControl Gcode Designer open‐source software to 3D print intricate tetrachiral auxetic structures. The results reported in this work show how powder composition (316L versus Cu) has less effect on the inks’ rheological behavior than powder size distribution and powders:binder volume ratio. In terms of rheological parameters, the zero‐shear rate viscosity mainly affects the capability of the printed ink to retain its shape after printing, while the yield stress affects the printability. The printed and sintered auxetic structures achieve the intended lattice‐geometry design.
Fatigue Strength Assessment of Laser Beam Welded Joints Made of AA7075 and Magnetic Pulse Welded Joints Made of AA7075 and 3D‐Printed AlSi10Mg
Authors: Jöckel Andre , Maciolek Andreas , Baumgartner Jörg , Möller Benjamin , Völkers Stephan , Graß Markus , Böhm Stefan
Published: April 2023

The use of 7000 aluminum alloys has an important role in future lightweight structures in the field of mobility due to the low density and high strength. However, these alloys can only be fusion welded to a limited extent because welding defects can rarely be prevented. For this reason, investigations are carried out to identify the most suitable welding parameters for two processes: laser beam and magnetic pulse welding. Herein, laser beam welding is successfully used to manufacture a roll‐formed and longitudinally welded pipe made of AA7075 and joined by magnetic pulse welding with a 3D‐printed lug‐tube made of AlSi10Mg. The fatigue strength of these pipe joints and of laser beam welded butt joint specimens is determined using load‐controlled fatigue tests. For the characterization of the specimens, cross sections are prepared and examined metallographically, which reflect the local weld seam geometry in the joining area. A fatigue assessment is made using linear‐elastic approaches. The reference radius concept is applied to map the influence of geometric notches on the fatigue strength, assuming linear‐elastic stress–strain behavior. It is shown that the recommended notch stress fatigue class FAT 178 (von Mises stress) can be applied for a safe and reliable fatigue assessment.
Nanopaper Electronics
Authors: Shen Huimin , Peng Shuting , Luo Qiguan , Zhou Jian , He Jr‐Hau , Zhou Guofu , Xu Xuezhu
Published: April 2023

In the past few years, nanocellulose, as a new‐emerging colloid, has developed into a large family and gained increasing attention owing to its favorable properties. It represents a ubiquitous feature in electronics as different components according to principles extend across energy, lighting management, and transistors and biosensors to information technologies. Within these decades, there are a lot of remarkable phenomena, effects, and performances relevant to a few additional attributes of nanocellulose, making the electronics perform better and better. Toward the rapid nanotechnology development and the need of the society, characterizing this important nanomaterial and making more and more new electronics have become important things to be done. This review consolidates the contribution of nanocellulose to nano‐related electronics, summarizes these methods to utilize nanocellulose as any component in devices, and points out the attributes of the nanocellulose. In the devices, the recent advances into solid‐state electronics, optoelectronic devices, and flexible/wearable electronics are categorized. The intrinsic electrical, dielectric and electronic structures, and properties of nanocellulose related to the device performances are particularly summarized and analyzed, which is believed beneficial in providing a judgment criterion for devices in the future.
Engineering a Two‐Component Hemostat for the Treatment of Internal Bleeding through Wound‐Targeted Crosslinking
Authors: Hong Celestine , He Yanpu , Bowen Porter A. , Belcher Angela M. , Olsen Bradley D. , Hammond Paula T.
Published: April 2023

Primary hemostasis (platelet plug formation) and secondary hemostasis (fibrin clot formation) are intertwined processes that occur upon vascular injury. Researchers have sought to target wounds by leveraging cues specific to these processes, such as using peptides that bind activated platelets or fibrin. While these materials have shown success in various injury models, they are commonly designed for the purpose of treating solely primary or secondary hemostasis. In this work, a two‐component system consisting of a targeting component (azide/GRGDS PEG‐PLGA nanoparticles) and a crosslinking component (multifunctional DBCO) is developed to treat internal bleeding. The system leverages increased injury accumulation to achieve crosslinking above a critical concentration, addressing both primary and secondary hemostasis by amplifying platelet recruitment and mitigating plasminolysis for greater clot stability. Nanoparticle aggregation is measured to validate concentration‐dependent crosslinking, while a 1:3 azide/GRGDS ratio is found to increase platelet recruitment, decrease clot degradation in hemodiluted environments, and decrease complement activation. Finally, this approach significantly increases survival relative to the particle‐only control in a liver resection model. In light of prior successes with the particle‐only system, these results emphasize the potential of this technology in aiding hemostasis and the importance of a holistic approach in engineering new treatments for hemorrhage.
Transportation of Nano/Microparticles via Photoinduced Crawling of Azobenzene Crystals
Authors: Saito Koichiro , Ichiyanagi Kouhei , Nozawa Shunsuke , Haruki Rie , Fan Dongxiao , Kanazawa Tomoki , Norikane Yasuo
Published: April 2023

The stimulus‐driven motion of microscale objects on solid surfaces is a promising process to realize the manipulation of microdroplets, which has applications in fields areas such as material accumulation and sensing at a micro level. Light is an effective external stimulus for object manipulation because it can provide contactless spatial and temporal control. In this study, a new method is devised to transport nano/micromaterials on a glass surface by exploiting the photoinduced crawling motion of crystals. 4‐(methylamino)azobenzene (4‐MAAB) crystals are used to transport nano/micromaterials via photoirradiation from a single visible‐light source without using expensive equipment such as lasers and positioning devices. Nano/micromaterials mixed with the 4‐MAAB crystals are successfully transported with the crawling 4‐MAAB crystals. The nano/micromaterial transport is tracked using the fluorescence from the nano/micromaterials embedded into the 4‐MAAB crystals. In situ time‐resolved X‐ray diffraction measurements are also conducted for mechanistic analysis. This study offers new development paths in fields such as microfluidics and microrobotics.
Protein‐Gold Nanoclusters Loaded with Ferrous Ions for Inducing Ferroptosis of Hepatoma Cells
Authors: Jiang Chunyan , Liu Xin , Li Zhenhua , Zeng Lulu , Wang Rong , Ding Han , Jin Yuepeng , Zheng Lifei
Published: April 2023

Ferroptosis driven by the iron‐dependent accumulation of lipid peroxides and subsequent oxidative damage of biological membranes has shown great potential in the treatment of various diseases, especially cancer. However, suffering from the lack of safe and efficient delivery strategies for the unstable ferrous ions (Fe2+), the therapeutic efficacy induced by ferroptosis is always unsatisfactory. Herein, a protein‐based nanocomposite (Protein‐Gold Hybrid Materials‐Red, PGHM‐R) is designed as both an Fe2+ stabilizer and a carrier for the safe and efficient delivery of Fe2+ to hepatoma cells. The conspicuous feature of ferroptosis, such as downregulation of GPX4 and FTH1, upregulation of ASCL4 and NOX1, as well as mitochondrial deformation, is observed in PGHM‐R‐Fe‐treated hepatoma cells, which demonstrate that PGHM‐R‐Fe can effectively trigger ferroptosis of hepatoma cells. More importantly, systematic in vivo therapeutic outcomes demonstrate the low side effects and the high tumor‐inhibiting ratio of 58% of PGHM‐R‐Fe in the tumor model of hepatocellular carcinoma‐bearing mice. This novel strategy for inducing the ferroptosis of cancer cells based on utilizing protein to deliver Fe2+ holds great potential in the clinical applications of ferroptosis‐based therapy.
Acoustic Printing of Patient‐Derived Organoids That Preserve Tumor Microenvironment for Personalized Drug Screening
Authors: Gong Zhiyi , Mao Yiqian , Huang Lanxiang , Tang Xuan , Zhang Lingling , Xu Yaqi , Ding Zhao , Zhao Xingzhong , Wang Fubing , Guo Shishang
Published: April 2023

Patient personalized treatment models can predict treatment response and assist in determining the optimal treatment option for individual patients. The tumor microenvironment mediates tumor development and prognosis. However, current tumor models such as patient‐derived tumor xenograft (PDX) and 2D culture models fail to preserve the patient‐derived tumor microenvironment. Herein, a technique for acoustic‐droplet‐printing‐of‐patient‐derived‐organoids (ADPDOs) is reported, which allows for high‐throughput, high‐viability, rapid, and uniform printing preparation of patient‐derived organoids. In particular, the ADPDOs are uniform in size and retain the parental tumor/fibroblast cell composition, mimicking a more realistic 3D environment of parent tissue in vitro, with histological features and protein expression closer to that of the tissue. Therefore, ADPDOs hold promise for application in personalized precision therapy for different patients. The authors test the clinical drug treatment response of different patients in a fast and convenient way to predict the therapeutic effect of various patients. Thus, this technique has great potential for predicting treatment response to personalized cancer therapy and constructing complex 3D tissue models.
Pressure and Electromechanical Behaviors of Elastic Pressure Exerting and Sensing Fabrics for Monitoring Pressure of Compression Textiles
Authors: Yang Yiyi , Niu Ben , Ma Yixuan , Tian Xiao , Hua Tao
Published: April 2023

Sensing fabrics have received great attention due to various applications in medical area, healthcare, and smart clothes. However, there are very few studies on sensing fabrics that can be used to monitor the pressure of compression garments. In this study, a pressure exerting and sensing fabric is fabricated by interweaving highly sensitive yarn sensor into woven fabric using industrial‐scale weaving technology. By using a new method for measuring the pressure sensing capabilities under external stresses from a curved surface, effects of fabric structure and operation mode on the pressure and electromechanical properties are evaluated. New fabric structures are proposed to deliberately arrange the yarn sensing elements in a less‐ or even non‐binding form within the fabric for good elasticity and sensing properties. Arising from the appropriate material selection and structure feature, the sensing fabric realizes a suitable and stable amount of induced pressure as well as very low stress relaxation. Consequently, the sensing fabric with sateen structure demonstrates very good pressure sensing performance with sensitivity of 1.22 kPa−1, low hysteresis error of 8.06%, and linearity of 0.98 in the desired pressure range from 0.58 to 3.83 kPa. Furthermore, the fabric exhibits excellent stability over 4500 pressing cycles.
Skin‐Adhesive Flexible Force Sensors Based on Piezoelectric Poly(l‐lactic acid) for Human Behavior Recognition
Authors: Lin Chubin , Wu Wenjin , Zhu Huiyu , Qiu Yuhui , Cui Shaolong , Chen Weiquan , Babichuk Ivan S. , Ye Terry Tao , Gao Zhaoli , Yang Jian
Published: April 2023

The application of biodegradable films based on the piezoelectric effect of poly‐l‐lactic acid (PLLA) in sensors, transducers, actuators, and so on has gradually become one of the emerging research focuses. In this work, a flexible PLLA sensor with UV‐curable acrylate film packaging is proposed for human behavior recognition. The acrylic films with different proportions have different mechanical and surface properties, showing good flexibility, ductility, and skin adhesion. The morphology and crystal structure of the PLLA films and UV curable substrate obtained under the various postprocessing conditions and different proportions are examined by scanning electron microscopy, X‐ray diffraction, Raman, and ATR‐FTIR spectroscopy. In addition, by comparing six groups of PLLA films with different treatment conditions, the device made on film stretched four times and annealed for 8 h has the best performance. This sensor has good response ability to impact, vibration, and bending strain, and can be applied to human behavior recognition, such as touch, wrist bending, and swallowing.
3D Printing of Hollow Microspheres into Strong Hierarchical Porous Ceramics
Authors: Huo Wenlong , Tervoort Elena , Gantenbein Silvan , Jeoffroy Etienne , Yang Jinlong , Studart André R.
Published: April 2023

Porous ceramics are demanded in a wide range of high‐temperature, biological and energy‐related applications, but may show conflicting properties or suffer from poor mechanical properties. Introducing pores at different length scales has been shown to be a promising design strategy to combine antagonistic performance parameters and reach high porosity without severely compromising strength. Herein, a cost‐effective and simple process to create strong, highly porous ceramics via direct ink writing of suspensions of hollow microspheres into cellular architectures with pores at three hierarchical levels is reported. X‐ray diffraction, rheological measurements, scanning electron microscopy, and mechanical tests are conducted to thoroughly study the processing steps and morphology of the printed hierarchical porous ceramics. The presence of pores at multiple length scales increases significantly the mechanical strength of the porous structure, providing a useful platform for the manufacturing of lightweight ceramics from inexpensive and widely available feedstock materials.
Large‐Area Printed Display Based on Green Solvent Processable Blue Light‐Emitting Conjugated Polymer
Authors: Bai Lubing , Zhang Yahui , Han Yamin , Wang Shengjie , Zhuo Zhiqiang , Zheng Yingying , Li Mengyuan , Chen Wenyu , Yu Ningning , Sun Lili , An Xiang , Liu Bin , Wei Qi , Lin Jinyi , Huang Wei
Published: April 2023

Green‐processable printed large‐area light‐emitting diode (LED) is the crucial component of the high quality solid lighting and flat‐panel display. Accelerating the replacement from fossil‐based solvents to sustainable ecofriendly solvent is desirable for solution‐based printed organic electronics. Herein, by simple introducing methyl to the benzene groups of polydiarylfluorene‐based polymer, this work realizes the solution processing of blue polymer light‐emitting diodes (PLEDs) with a bio‐based solvent of limonene toward large‐area printed display. Film processed from this solvent exhibits satisfactory morphology and remarkable photophysical performances, even though the polymer chains show more serious aggregation in solution. What's more, devices fabricated with spin‐coated films present higher external quantum efficiency (EQE) and better spectra repeatability. Encouraged by the good film‐forming ability of this polymer in limonene, this work realizes the fabrication of printed large‐area films (5 × 5 cm2) with uniform emission and surface morphology by blade coating. Furthermore, this work develops passive matrix (PM) PLEDs arrays with 20 × 20 pixels that can dynamically display monochrome letters and numbers, demonstrating the potential application of cost‐effective printing techniques in large‐area display.
Light‐Start CRISPR‐Cas12a Reaction with Caged crRNA Enables Rapid and Sensitive Nucleic Acid Detection
Authors: Hu Menglu , Liu Ruhan , Qiu Zhiqiang , Cao Feng , Tian Tian , Lu Yunxin , Jiang Yongzhong , Zhou Xiaoming
Published: April 2023

The clustered regularly interspaced short palindromic repeats (CRISPR) system is a promising platform for nucleic acid detection. Regulating the CRISPR reaction would be extremely useful to improve the detection efficiency and speed of CRISPR diagnostic applications. Here, we have developed a light‐start CRISPR‐Cas12a reaction by employing caged CRISPR RNA (crRNA). When combined with recombinase polymerase amplification, a robust photocontrolled one‐pot assay is achieved. The photocontrolled one‐pot assay is simpler and is 50‐fold more sensitive than the conventional assay. This improved detection efficiency also facilitates the development of a faster CRISPR diagnostic method. The detection of clinical samples demonstrated that 10–20 min is sufficient for effective detection, which is much faster than the current gold‐standard technique PCR. We expect this advance in CRISPR diagnostics to promote its widespread detection applications in biomedicine, agriculture, and food safety.
The Sonogashira Coupling on Palladium Milling Balls—A new Reaction Pathway in Mechanochemistry
Authors: Pickhardt Wilm , Siegfried Eleonora , Fabig Sven , Rappen Marisol Fabienne , Etter Martin , Wohlgemuth Maximilian , Grätz Sven , Borchardt Lars
Published: April 2023

Utilizing direct mechanocatalytical conditions, the Sonogashira coupling was successfully performed on the surface of milling tools by using pure Pd and Pd coated steel balls. The optimization of co‐catalyst forming additives led to a protocol, which generates quantitative yields under aerobic conditions for various substrates within as little as 90 minutes. Using state‐of‐the‐art spectroscopic, diffractive, as well as in situ methods lead to the identification of a previously unknown and highly reactive complex of the co‐catalyst copper. This new complex differs substantially from the known complexes in liquid phase Sonogashira couplings, proving that reaction pathways in mechanochemistry may differ from those in established synthetic procedures.
Rapid Phase Transitions of Thermotropic Glycolipid Quasicrystal and Frank‐Kasper Mesophases: A Mechanistic Rosetta Stone
Authors: Wentz Charlotte M. , Lachmayr Kätchen K. , Tsai Esther H. R. , Sita Lawrence R.
Published: April 2023

Experimental results are presented that serve to lower the barrier for developing the science and technology of non‐classical thermotropic glycolipid mesophases, which now include dodecagonal quasicrystal (DDQC) and Frank–Kasper (FK) A15 and σ mesophases that can be produced under mild conditions from a versatile class of sugar‐polyolefin conjugates. By employing “alloys” comprised of mono‐ and disaccharide‐polyolefin conjugates, and optionally with vitamin E as a small molecule phase modulator, we report the spontaneous formation of stable A15 mesophases at ambient temperature. We further document a rich thermotropic phase map that includes DDQC, A15, and σ mesophases of tunable periodicity that are connected through rapid thermotropic phase transitions as a function of increasing temperature in the order: liquid‐like packing (LLP)→DDQC → A15→σ→ disorder. This first direct observation of a rapid thermotropic A15→σ phase transition provides support for a diffusionless martensitic process proceeding through strain‐induced introduction of planar defects into the A15 lattice.
Anatomical correlates and nomenclature of the chiropteran endocranial cast
Authors: Maugoust Jacob , Orliac Maeva Judith
Published: April 2023

Bats form a diverse group of mammals that are highly specialized in active flight and ultrasound echolocation. These specializations rely on adaptations that reflect on their morphoanatomy and have been tentatively linked to brain morphology and volumetry. Despite their small size and fragility, bat crania and natural braincase casts (“endocasts”) have been preserved in the fossil record, which allows for investigating brain evolution and inferring paleobiology. Advances in imaging techniques have allowed virtual extraction of internal structures, assuming that the shape of the endocast reflects soft organ morphology. However, there is no direct correspondence between the endocast and internal structures because meninges and vascular tissues mark the inner braincase together with the brain they surround, resulting in a mosaic morphology of the endocast. The hypothesis suggesting that the endocast reflects the brain in terms of both external shape and volume has drastic implications when addressing brain evolution, but it has been rarely discussed. To date, only a single study addressed the correspondence between the brain and braincase in bats. Taking advantage of the advent of imaging techniques, we reviewed the anatomical, neuroanatomical, and angiological literature and compare this knowledge available on bat's braincase anatomy with anatomical observations using a sample of endocranial casts representing most modern bat families. Such comparison allows to propose a Chiroptera‐scale nomenclature for future descriptions and comparisons among bat endocasts. Describing the imprints of the tissues surrounding the brain also allows to address to what extent brain features can be blurred or hidden (e.g., hypophysis, epiphysis, colliculi, flocculus). Furthermore, this approach encourages further study to formally test the proposed hypotheses.
Design, synthesis, α‐glucosidase inhibition, pharmacokinetic, and cytotoxic studies of new indole‐carbohydrazide‐phenoxy‐N‐phenylacetamide derivatives
Authors: Hamedifar Haleh , Mohammadi‐Khanaposhtani Maryam , Sherafati Maedeh , Noori Milad , Moazam Ali , Hosseini Samanesadat , Larijani Bagher , Hajimiri Mir H. , Mahdavi Mohammad , Erdogan Mehmet K. , Gundogdu Ramazan , Kirici Mahinur , Taslimi Parham , Gülçin İlhami
Published: April 2023

A new series of indole‐carbohydrazide‐phenoxy‐N‐phenylacetamide derivatives7a–lwere designed, synthesized, and screened for their α‐glucosidase inhibitory abilities and cytotoxic effects. The results obtained in the α‐glucosidase inhibition assay indicated that most of the synthesized derivatives displayed good to moderate inhibitory abilities (Kivalues ranging from 14.65 ± 2.54 to 37.466 ± 6.46 μM) when compared with the standard drug acarbose (Ki = 42.38 ± 5.73 μM). Among them, 2‐mehoxy‐phenoxy derivatives7land7hwith 4‐nitro and 4‐chloro substituents on the phenyl ring of theN‐phenylacetamide moiety, respectively, displayed the most inhibition effects. The inhibitory mechanism of these compounds was investigated by molecular docking studies. The in vitro cytotoxicity assay showed that only one compound, 2‐methoxy‐phenoxy derivative7kwith a 4‐bromo substituent on the phenyl ring of theN‐phenylacetamide moiety, exhibited moderate cytotoxicity against the human non‐small‐cell lung cancer cell line A549 and the rest of the compounds show almost no cytotoxicity. Further cytotoxic evaluations were also performed on compound7k. The in silico pharmacokinetic study predicted that the selected compounds7land7hare likely to be orally active.
Co Nanoparticles Embedded in Mesoporous Walls of Carbon Nanoboxes for Rechargeable Zinc‐air Batteries
Authors: Song Lianghao , Zhang Jing , Huang Chengyu , Zhao Chenfei , Yin Xuemin , Long Hongli , Liu Yang , Zhao Yufeng
Published: April 2023

Design of non‐noble metal electrocatalysts with high catalytic activity and stability to replace commercial Pt/C is crucial in the commercialization development of Zn‐air batteries (ZABs). In this work, Co catalyst nanoparticles coupled with nitrogen‐doped hollow carbon nanoboxes were well designed through zeolite‐imidazole framework (ZIF‐67) carbonization. As a result, the 3D hollow nanoboxes reduced the charge transport resistance, and the Co nanoparticles loaded on nitrogen‐doped carbon supports exhibited excellent electrocatalytic performance for oxygen reduction reaction (ORR, E1/2=0.823 V vs. RHE), similar to that of commercial Pt/C. Moreover, the designed catalysts showed an excellent peak density of 142 mW cm−2 when applied on ZABs. This work provides a promising strategy for the rational design of non‐noble electrocatalysts with high performance for ZABs and fuel cells.
Base‐catalyzed [3 + 2]/[4 + 2]‐annulations of cyclic N‐sulfimines with γ‐ and δ‐sulfonamido/hydroxy‐α,β‐unsaturated carbonyls: Stereoselective synthesis of imidazolidines, oxazolidines, hexahydropyrimidines, and 1,3‐oxazinanes
Authors: Kim Yoseop , Kim Seung Yeon , Kim Sung‐Gon
Published: April 2023

A highly efficient and straightforward synthetic methodology has been established for the preparation of imidazolidine derivatives through the [3 + 2]‐annulation of cyclic N‐sulfimines. This reaction involves the reaction of cyclic N‐sulfimines and γ‐sulfonamido‐α,β‐unsaturated carbonyl compounds, with Cs2CO3 serving as the catalyst. The outcome is a diverse range of imidazolidine derivatives with remarkable yields and stereoselectivities. In addition, the [4 + 2]‐annulation between cyclic N‐sulfimines and δ‐sulfonamido‐α,β‐unsaturated carbonyl compounds, catalyzed by Et3N, has been successfully applied for the synthesis of stereoselective hexahydropyrimidines. Furthermore, the base‐catalyzed annulation of cyclic N‐sulfimines with γ‐ and δ‐hydroxy‐α,β‐unsaturated carbonyl compounds has proven to be a reliable method for the synthesis of oxazolines and 1,3‐oxazinanes.
50‐kHz ultrasonic vocalizations do not signal social anhedonia in transgenic DISC1 rats
Authors: Seidisarouei Mohammad , Schäble Sandra , van Wingerden Marijn , Trossbach Svenja V. , Korth Carsten , Kalenscher Tobias
Published: April 2023

Patients diagnosed with neuropsychiatric disorders, such as autism and schizophrenia, suffer from disorganized speech. The disrupted‐in‐schizophrenia 1 (DISC1) protein pathway is considered a risk factor for the development of several psychiatric disorders and plays an important role in the dysregulation of dopamine (DA), which in turn plays an important role in the regulation of ultrasonic vocalizations (USVs) in rats. Moreover, the DISC1 protein pathway has been identified as a cause of social anhedonia, that is, a decrease in the drive for social interactions. USVs transmit specific affective information to other rats, with 50‐kHz calls indicating a positive affective state in rats. Dysregulation of the dopaminergic system impacts the qualitative and quantitative features of USVs, such as duration, peak frequency, and the call rate. In this study, we thus used a well‐established transgenic DISC1 (tgDISC1) rat line to investigate whether the neural (decreased DA levels in the dorsal striatum, amygdala, and hippocampus (HPC)) and behavioral (social anhedonia) features of tgDISC1 rats could be manifested through the modulation of their 50‐kHz USVs. Analyses of three features (call rate, duration, and peak frequency) of all 50‐kHz revealed no significant differences between groups, suggesting decreased DA levels in the dorsal striatum and amygdala, and HPC may affect social interaction but leave 50‐kHz USV production intact.
Acceptance and commitment therapy (ACT) for people with dementia experiencing psychological distress: A hermeneutic single‐case efficacy design (HSCED) series
Authors: Robinson Amie , De Boos Danielle , Moghaddam Nima
Published: April 2023

Introduction

People with dementia have a high prevalence of psychological distress but are underserved with evidence‐based psychological interventions. To promote choice and improve clinical outcomes, there is a necessity to test different psychological intervention options for this population.

Purpose

This study aimed to investigate the effectiveness and acceptability of acceptance and commitment therapy (ACT) for people with dementia, considering carer‐supported, remote delivery and necessary therapy adaptations.

Methods

A hermeneutic single‐case efficacy design series was used to analyse the therapy process and change for three clients with dementia and psychological distress. A matrix of quantitative and qualitative data was collated (“rich case records”) and subject to critical analyses by three independent psychotherapy experts (“judges”) who identified change processes and determined the outcome for each client.

Results

Adjudication concluded that one client made positive changes, specifically reliable reductions in psychological distress, which were largely attributable to ACT. Two clients remained unchanged.

Discussion/Conclusion

Where change was achieved, the ACT‐specific processes of values, committed action and acceptance, in combination with non‐specific therapy factors, including a strong client–carer relationship, existing client interests and individualised therapy adaptations, were facilitative. Hence, ACT may be a feasible and effective vehicle for therapeutic change by helping carers to better meet the needs of their loved ones. Future research to optimise ACT delivery in this population may be beneficial. Furthermore, the assessment of carer factors (e.g., their psychological flexibility and the client–carer relationship) may strengthen the evidence base for systemic ACT use.
1,2,3‐Triazole Derivatives as an Emerging Scaffold for Antifungal Drug Development against Candida albicans: A Comprehensive Review
Authors: Singh Atamjit , Singh Karanvir , Sharma Aman , Joshi Kaustubh , Singh Brahmjeet , Sharma Sambhav , Batra Kevin , Kaur Kirandeep , Singh Dilpreet , Chadha Renu , Mohinder Singh Bedi Preet
Published: April 2023

Candida infections are most prominent among fungal infections majorly target immunocompromised and hospitalized patients and cause significant morbidity and mortality. Candida albicans is the notorious and most prevalent among all pathogenic Candida strains. Its emerging resistance toward available antifungal agents making it hard to tackle and emerging as global healthcare emergency. Simultaneously, 1,2,3‐triazole nucleus is a privileged scaffold that is gaining importance in antifungal drug development due to being a prominent bioactive linker and isostere of triazole based antifungal class core 1,2,4‐triazole. Numerous reports have been updated in scientific literature in last few decades related to utilization of 1,2,3‐triazole nucleus in antifungal drug development against Candida albicans. Present review will shed light on various preclinical studies focused on development of 1,2,3‐triazole derivatives targeting Candida albicans along with brief highlight on clinical trials and newly approved drugs. Structure‐activity relationship has been precisely discussed for each architect along with future perspective that will help medicinal chemists in design and development of potent antifungal agents for tackling infections derived from Candida albicans.
Curiosity in therapy with children
Authors: Walters Anne S.
Published: April 2023

Several months ago, I promised to return to a discussion about the role of curiosity in connecting with children for treatment. In a podcast I referenced in an earlier commentary (see Parenting opportunities: Apologizing, CABL. March, 2023; https://onlinelibrary.wiley.com/doi/10.1002/cbl.30697), Harriet Lerner and Brene Brown discussed apologizing and noted that curiosity about the other person's experience was an essential part of the process. Any discussion of curiosity strikes a chord for me as a personal value and a guiding principle to being an effective clinician. Therapy does not go far without an interest in learning about others and a willingness to ask the questions needed to understand another's perspective fully.
Normal vs. Inverted Ordering of Reduction Potentials in [FeFe]‐Hydrogenases Biomimetics: Effect of the Dithiolate Bulk
Authors: Arrigoni Federica , De Gioia Luca , Elleouet Catherine , Pétillon François Y. , Schollhammer Philippe , Talarmin Jean , Zampella Giuseppe
Published: April 2023

Three hexacarbonyl diiron dithiolate complexes [Fe2(CO)6(μ‐(SCH2)2X)] with different substituted bridgeheads (X=CH2, CEt2, CBn2 (Bn=CH2C6H5)), have been studied under the same experimental conditions by cyclic voltammetry in dichloromethane [NBu4][PF6] 0.2 M. DFT calculations were performed to rationalize the mechanism of reduction of these compounds. The three complexes undergo a two‐electron transfer whose the mechanism depends on the bulkiness of the dithiolate bridge, which involves a different timing of the structural changes (Fe−S bond cleavage, inversion of conformation and CO bridging) vs redox steps. The introduction of a bulky group in the dithiolate linker has obviously an effect on normally ordered (as for propanedithiolate (pdt)) or inverted (pdtEt2, pdtBn2) reduction potentials. Et→Bn replacement is not theoretically predicted to alter the geometry and energy of the most stable mono‐reduced and bi‐reduced forms but such a replacement alters the kinetics of the electron transfer vs the structural changes.
Antimicrobial Conjugated Oligoelectrolytes Containing Triphenylphosphonium Solubilizing Groups
Authors: Chan Samuel J. W. , Zhang Kaixi , Zhu Ji‐Yu , Bazan Guillermo C.
Published: April 2023

Invited for the cover of this issue is the group of Guillermo C. Bazan, Kaixi Zhang and co‐workers at the National University of Singapore The image depicts the activity of lead compound DM6P acting on a model bacteria membrane. Read the full text of the article at 10.1002/chem.202203803.
Methacrylic acid‐based amphiphilic block‐random copolymer stabilizers for emulsion polymerization
Authors: Ezenwajiaku Ikenna H. , Sanders Connor A. , George Sean R. , Cunningham Michael F.
Published: April 2023

The emulsion polymerization of styrene was investigated using polystyrene‐b‐[polystyrene‐r‐poly(methacrylic acid)] amphiphilic block‐random copolymers (BRCs) of different compositions as stabilizers. These stabilizers with molar masses <20,000 g/mol, which possess unique dispersion behaviour (i.e., self‐assembly with low aggregation numbers) when dissolved in aqueous medium at alkaline pH, were prepared by the nitroxide‐mediated bulk polymerization of styrene to achieve a desired molar mass followed by chain extension by batchwise addition of styrene and methacrylic acid monomers to obtain the stabilizing group. Emulsion polymerizations of styrene stabilized by these BRCs yielded stable latexes with particle diameters that range between 30 and 150 nm. When different concentrations of the stabilizer (2–3.5 mM) were utilized for emulsion polymerization of styrene, a similar novel emulsion polymerization mechanism observed previously by our group for the acrylic‐acid based amphiphilic BRCs was also seen, further validating the difference between this class of polymeric surfactants and conventional small molecule surfactants, block copolymers, or alkali soluble resins. The performance of methacrylic‐acid based BRCs was more efficient and yielded higher surface coverage of the polystyrene latexes when compared to the acrylic‐acid based BRCs as a result of the more hydrophobic nature of the former.
Adapting perennial grain and oilseed crops for climate resiliency
Authors: Jungers Jacob , Runck Bryan , Ewing Patrick M. , Maaz Tai , Carlson Craig , Neyhart Jeffrey , Fumia Nathan , Bajgain Prabin , Subedi Samikshya , Sharma Vasudha , Senay Senait , Hunter Mitch , Cureton Colin , Gutknecht Jessica , Kantar Michael B.
Published: April 2023

Climate change is threatening the status quo of agricultural production globally. Perennial cropping systems could be a useful strategy to adapt agriculture to a changing climate. Current and future perennial row crop systems have many and varied applications and these systems can respond differently than annuals to agricultural challenges resulting from climate change, such as shifting ranges of plant, pathogen, and animal species and more erratic weather patterns. To capitalize on attributes of perennial systems that assist in our ability to adapt to a changing world, it is important we fully consider the component parts of agroecosystems and their interactions, including species, genotype and genotypic variance, environment and environmental variance, adaptive management strategies, and farm socioeconomics. We review the current state of perennial grain and oilseed crops for integration into row crop agriculture and summarize the potential for current and future systems to support multiple environmental benefits and adaptation to climate change. We then propose a plant breeding strategy that incorporates the complexity of common domestication traits as they relate to future perennial crop improvement and adaptation and highlight digital technologies that can advance these goals. Evaluation of genetic gain during the development of new perennial crops and systems can be improved using research designs that span an environmental gradient that captures the forecasted shift in climate for a region, which we demonstrate by reanalyzing existing data. Successful development and deployment of perennial crops as a climate adaptation strategy depends on grower adoption, scalability, and sustainable modifications to markets and supply chains.
High‐gain nine‐level switched‐capacitor multilevel inverter featuring less number of devices and leakage current
Authors: Debela Awas Tamiru , Singh Jiwanjot
Published: April 2023

In this article, a novel switched‐capacitor multilevel inverter (SC‐MLI) for on‐grid and off‐grid applications with PV is presented. The nine‐level proposed SC‐MLI with simple architecture is produced gain of four times across the load voltage. Further, the proposed inverter needs only 10 power switches, a single dc source, three diodes, and three capacitors. For a suitable switching operation, phase disposition pulse width modulation (PD‐PWM) was developed. Furthermore, the capacitor inrush current, which is a major shortcoming of SC‐MLI, is mitigated in the proposed topology by employing a charging inductor. Furthermore, the proposed inverter is used as a single‐stage PV grid‐tied inverter. When inverter is used for PV applications, the proposed inverter provides minimum value of leakage current. In addition, to demonstrate the superior performance of the proposed switched capacitor MLI, a comparative analysis with an existing off‐grid and existing on‐grid SC‐MLIs is performed. A fully circuit has been simulated using Matlab/Simulink to test the effectiveness and feasibility of the proposed topology. The prototype of the hardware system is designed of a nine‐level proposed topology using the dSpace 1103 controller board to validate the results.
Design and synthesis of novel hexahydrobenzo[4,5]thieno[2,3‐d]pyrimidine derivatives as potential anticancer agents with antiangiogenic activity via VEGFR‐2 inhibition, and down‐regulation of PI3K/AKT/mTOR signaling pathway
Authors: Seif Safaa E. , Mahmoud Zeinab , Wardakhan Wagnat W. , Abdou Amr M. , Hassan Rasha A.
Published: April 2023

New thieno[2,3‐d]pyrimidine derivatives were designed and synthesized. The National Cancer Institute (NCI) evaluated the synthesized novel compounds against a panel of 60 tumor cell lines for their antiproliferative activity. Compounds 6b, 6f, and 6g showed potent anticancer activity at 10 µM dose, with mean GI of 20.86%, 76.41%, and 31.49%, respectively. Compound 6f was selected for five‐dose concentrations evaluation. Compound 6f scored a submicromolar range of GI50 values against 10 cancer cell lines, indicating broad‐spectrum and potent antiproliferative activity. Compound 6f TGI values were recorded in the cytostatic range of 4.02–95.1 µM. In comparison to sorafenib, the tested compounds 6b, 6f, and 6g inhibited VEGFR‐2 with IC50 values of 0.290 ± 0.032, 0.066 ± 0.004, and 0.16 ± 0.006 µM, correspondingly. Compound 6f significantly reduced the total VEGFR‐2 expression and its phosphorylation. Additionally, 6f reduced the phosphorylation of PI3K, Akt, and mTOR pathway proteins. Moreover, the migratory potential of HUVECs was significantly reduced, after 72 h of treatment with compound 6f, resulting in disrupted wound healing patterns which verified the angiogenesis suppression properties of compound 6f. Compound 6f increased the total apoptosis percentage by 21.27‐fold compared to sorafenib, which caused a 24.11‐fold increase in the total apoptosis percentage. This apoptotic activity was accompanied by a 7.81‐fold increase in the level of apoptotic caspase‐3. Furthermore, the cell cycle analysis revealed that the target derivative 6f reduced cellular proliferation and induced an arrest in HCT‐15 colon cancer cell cycle at the S phase. Molecular modeling was used to determine the binding profile and affinity of derivative 6f toward the VEGFR‐2 active site.
Neurophysiology of predictable unpleasant event processing in pre‐adolescents and early adolescents, part II: Reflex and event‐related potential markers of defensive reactivity and peripheral attention modulation
Authors: Sege Christopher T. , McTeague Lisa M. , Kegley Molly , Shacklewood Curtisha , Halliday Colleen A. , Calhoun Casey D. , Joseph Jane E. , Adams Zachary W. , Hajcak Greg , Danielson Carla Kmett
Published: April 2023

The ability to anticipate and process predictable unpleasant events, while also regulating emotional reactivity, is an adaptive skill. The current article and a companion in this issue test for potential changes in predictable event processing across the childhood‐to‐adolescence transition, a key developmental period for biological systems that support cognitive/ emotional abilities. While the companion article focuses on neurophysiology of predictable event processing itself, the present article examines peripheral emotional response regulation and attention modulation that coincides with event processing. A total of 315 third‐, sixth‐, or ninth‐grade individuals saw 5‐s cues predicting “scary,” “every day,” or uncertain pictures, and here, blink reflexes and brain event‐related potentials (ERPs) elicited by peripheral noise probes are analyzed. During the cue, blink reflexes and probe ERP (P200) amplitudes were increased when the cue predicted scary, compared to everyday, content. After picture onset, reflex enhancement by scary content then disappeared for predictable images, whereas ERP modulation was similar regardless of predictability. Patterns are similar to those in adults and suggest (1) sustained defensive response priming and enhancement of peripheral attention during aversive anticipation, and (2) an ability, even in pre‐adolescents, to downregulate defensive priming while maintaining attentional modulation once an awaited predictable aversive event occurs.