bluuebunny/crossref_metadata_2025 huggingface dataset:
Statistical Process Monitoring Approaches for Image Data
Authors: Kang Yicheng
Published: February 2023

Rapid advances in imaging technology have made it possible to collect large amounts of image data in a cost‐effective manner. As a result, images are widely adopted for quality control purposes in the manufacturing industry. In image‐based quality control, images from a production process are collected over time, and the information such as product geometry or surface finish extracted from these images is used to determine whether the manufactured products satisfy the quality requirements. This is a challenging high‐velocity high‐volume big data problem. First, image streams normally generate image data at a high rate, so it is imperative to process each image quickly. Second, images often have complicated spatial structures such as edges and singularities, which render many traditional process monitoring methods inapplicable. Third, a typical image contains tens of thousands of pixels, so the data is high‐dimensional. It has been shown in the literature that conventional multivariate control charts have limited power of detecting process shifts when the data dimension is high. In this expository article, we divide the image monitoring applications into two categories: (i) images with deterministic features and (ii) images with stochastic features. We introduce representative methods in the two categories and discuss their potential to solve the problems in image monitoring. Some recent research in color image monitoring is discussed as well. Suggestions for future research and possible applications of image monitoring methods beyond industrial quality control are given in the end.
Kullback–Leibler Information Control Chart
Authors: Takemoto Yasuhiko , Arizono Ikuo
Published: February 2023

The Kullback–Leibler information (KLI) control chart is a statistical control chart in which a degree of difference between in‐control condition and present condition in a process is quantified by the KLI. It is especially called the control chart when a quality characteristic is normally distributed, and a shift in the process mean and a change in the process dispersion are simultaneously monitored. The control chart has been expanded to cumulative sum and multivariate versions, and so forth. A method of visualizing the tracks of changes in a process condition when the chart signaled abnormality in a process has also been discussed. In addition, an economical operation method of the control chart using Taguchi's quality loss has been developed. Several articles are introduced in this article since various types of control charts have been considered until now. This article, finally, intends to provide useful information for further research about KLI control charts.
Targeted Learning
Authors: Coyle Jeremy R. , Hejazi Nima S. , Malenica Ivana , Phillips Rachael V. , Arnold Benjamin F. , Mertens Andrew , Benjamin‐Chung Jade , Cai Weixin , Dayal Sonali , Colford John M. , Hubbard Alan E. , van der Laan Mark J.
Published: February 2023

Targeted Learning is a subfield of statistics that unifies advances in causal inference, machine learning, and statistical theory to help answer scientifically impactful questions with statistical confidence. Targeted Learning is driven by complex problems in data science and has been implemented in a diversity of real‐world scenarios: observational studies with missing treatments and outcomes, personalized interventions, longitudinal settings with time‐varying treatment regimes, survival analysis, adaptive randomized trials, mediation analysis, and networks of connected subjects. In contrast to the (mis)application of restrictive modeling strategies that dominate the current practice of statistics, Targeted Learning establishes a principled standard for statistical estimation and inference (i.e., confidence intervals and
p
‐values). This multiple robust approach is accompanied by a guiding roadmap and a burgeoning software ecosystem, both of which provide guidance on the construction of estimators optimized to best answer the motivating question. The roadmap of Targeted Learning emphasizes tailoring statistical procedures so as to minimize their assumptions, carefully grounding them only in the scientific knowledge available. The end result is a framework that honestly reflects the uncertainty in both the background knowledge and the available data in order to draw reliable conclusions from statistical analyses – ultimately enhancing the reproducibility and rigor of scientific findings.
The Damage Mode Automatic Identification of Al2TiO5 Flexible Ceramics Based on Machine Learning
Authors: Shan Qingliang , Ma Qian , Xue Yudong , Shui Anze
Published: February 2023

Machine learning is applied to study the damage evolution of Al2TiO5 (AT) flexible ceramics at different sintering temperatures to realize the automatic identification of damage modes. Three damage modes (i.e., friction of Al2TiO5 grains, damage of grain boundary glass phase, and fracture of single Al2TiO5 grain) can be successfully distinguished by processing feature values of acoustic emission (AE) collected from material damage through k‐means algorithm. Though the specimen sintered at 1600 °C possesses the largest grain, the mean feature value of AE in cluster‐3 (fracture of AT single grain) is not maximum since the decomposition of Al2TiO5 is serious at 1600 °C. Meanwhile, the amplitude‐centralized area of the corresponding cluster first expands and then decreases with the increase of sintering temperature. When the sintering temperature is 1500 °C, this centralized area reaches to the maximum. Correspondingly, the specimen sintered at 1500 °C has the maximum failure displacement and the most AE damage events. To realize the automatic identification of damage modes, random forests algorithm is applied to distinguish the damage modes of other samples in the same set. The almost same trend of damage modes evolution in new samples and training sample proves high efficiency of this method.
Carbon Nanotube/Hygroscopic Salt Nanocomposites with Dual‐Functionality of Effective Cooling and Fire Resistance for Safe and Ultrahigh‐Rate Operation of Practical Lithium‐Ion Batteries
Authors: Zhang Longyuan , Yu Wei , Wang Junming , Gao Dan , Chen Yucheng , Dai Wenhua , Wang Peng , Li Guoxian , Meng Chuizhou , Liu Changhong , Guo Shijie
Published: February 2023

Fire and explosion accidents and reduced energy utilization due to poor cycling stability of lithium‐ion batteries (LIBs) caused by inevitable internal temperature rise during high‐rate operations have become a growing concern. Herein, a dual‐functional carbon nanotube/hygroscopic salt (DFCNT/HS) film with effective passive cooling performance and fire insulation for the safe usage of practical LIBs under extremely fast discharging conditions is reported. The DFCNT/HS film based on the cooling mechanism of self‐adaptive moisture absorption/desorption delivers a high cooling power of 32.9 W m−2 K−1, which can reduce the maximum temperature of a 18650–3.6 V/2.0 Ah LIB by 11.2 and 17.4 °C at discharging rates of 10 and 15 C, respectively. Covering the cooling film, the battery discharges 23.6 Ah more total capacity at 10 within 500 cycles. What is challenging, almost three‐fold extended lifetime of 425 cycles is achieved at 15 C with an extra total capacity of 467.2 Ah. Meanwhile, the developed film also shows an excellent high‐temperature resistance up to 540 °C, which can alleviate the devastating fire propagation. The fast heat dissipation and excellent fire insulation as well as the mechanical flexibility and manufacturing scalability make this new material promising for safe usage of high‐rate LIBs with zero energy consumption.
Stimuli‐Responsive Organic Near‐Infrared Photoacoustic Probes
Authors: Shen Qing , Wang Leichen , Ruan Xiaohong , Li Na , Wang Weili , Wang Wenjun , Shao Jinjun , Dong Xiaochen
Published: February 2023

Photoacoustic (PA) imaging is an emerging biomedical imaging technique with the features of non‐invasiveness and non‐ionization. It takes advantage of the photothermal effect of PA probes to convert absorbed photon energy into heat and subsequent transient thermoelastic tissue expansion for ultrasonic waves for PA images. Thus, PA imaging exhibits the combined superiority of high‐contrast optical imaging and deep tissue penetration of acoustic imaging, which furnishes high‐resolution and high‐contrast tissue images. Stimuli‐responsive organic PA agents in the near‐infrared (NIR) biological window have attracted increasing attention because of their low biological toxicity and response characteristics. This review focuses on the recent research progress of stimuli‐responsive organic NIR probes for PA imaging, including the temperature response, pH response, redox response, metal ion response, and enzyme response. And the stimuli‐responsive mechanisms are highlighted in detail. Moreover, their perspectives and challenges are discussed. It will be of great help for the further development of organic NIR PA probes with stimuli‐response.
Intrinsically Stretchable Polymer Semiconductors with Good Ductility and High Charge Mobility through Reducing the Central Symmetry of the Conjugated Backbone Units
Authors: Yu Xiaobo , Chen Liangliang , Li Cheng , Gao Chenying , Xue Xiang , Zhang Xisha , Zhang Guanxin , Zhang Deqing
Published: February 2023

Intrinsically stretchable polymer semiconductors are highly demanding for flexible electronics. However, it still remains challenging to achieve synergy between intrinsic stretchability and charge transport property properly for polymer semiconductors. In this paper, terpolymers are reported as intrinsically stretchable polymeric semiconductors with good ductility and high charge mobility simultaneously by incorporation of non‐centrosymmetric spiro[cycloalkane‐1,9′‐fluorene] (spiro‐fluorene) units into the backbone of diketopyrrolopyrrole (DPP) based conjugated polymers. The results reveal that these terpolymers show obviously high crack onset strains and their tensile moduli are remarkably reduced, by comparing with the parent DPP‐based conjugated polymer without spiro‐fluorene units. They exhibit simultaneously high charge mobilities (>1.0 cm2 V−1 s−1) at 100% strain and even after repeated stretching and releasing cycles for 500 times under 50% strain. The terpolymer P2, in which cyclopropane is linked to the spiro‐fluorene unit, is among the best reported intrinsically stretchable polymer semiconductors with record mobility up to 3.1 cm2 V−1 s−1 at even 150% strain and 1.4 cm2 V−1 s−1 after repeated stretching and releasing cycles for 1000 times.
Tailoring the d‐Orbital Splitting Manner of Single Atomic Sites for Enhanced Oxygen Reduction
Authors: Dai Yunkun , Liu Bo , Zhang Ziyu , Guo Pan , Liu Chang , Zhang Yunlong , Zhao Lei , Wang Zhenbo
Published: February 2023

Regulating the electronic states of single atomic sites around the Fermi level remains a major concern for boosting the electrocatalytic oxygen reduction reaction (ORR). Herein, a Fe d‐orbital splitting manner modulation strategy by constructing axial coordination on FeN4 sites is presented. Experimental investigations and theoretical calculations reveal that the axial tractions induce the distortion of square‐planar field (FeN4 SP), up to the quasi‐octahedral coordination (FeN4O1 OCquasi), thus leading to the electron rearrangement with a diluted spin polarization. The declined population of unpaired electrons in dz2, dxz and dyz states engenders a moderate adsorption of ORR intermediates, thereby reinforcing the intrinsic reaction activity. In situ infrared spectroscopy further demonstrates that the reordering of d‐orbital splitting and occupation facilitates the desorption of *OH. The FeN4O1 OCquasi exhibits a dramatic improvement of kinetic current density and turnover frequency, which are fivefold and tenfold higher than those of FeN4 SP. This work presents a novel understanding on improving the electrocatalytic performance through the orbital‐scale manipulation.
Properties and chemical compositions of monovarietal virgin olive oil at different ripening stages: A study on olive cultivation in Northwest China
Authors: Zhang Zihan , Wang Zhaoshan , Li Qiaohua , Zhao Min , Zhang Jianguo
Published: February 2023

The olive management in China is rarely reported. This study evaluates the influence of drupes ripening on virgin olive oil (VOO) quality of four main varieties (Olea europaea L., cultivars Ezhi‐8, Koroneiki, Leccion, and Frontoio) cultivated in Northwest China. Quality indices, fatty acid profiles, polyphenols, terpenic acids, tocopherols, and squalene contents are tested at four ripening stages from September to November. The contents of linolenic acid, saturated fatty acids, triterpenic acids, and squalene in all VOO samples decreased during ripening; in contrast, the oleic acid, linoleic acid, nervonic acid (first reported in VOOs), cinnamic acid, p‐coumaric acid, apigenin, and naringenin (contents) increased. The dynamics of the major phenolic compounds, such as hydroxytyrosol, tyrosol, and secoiridoids, were cultivar‐dependent. The two‐way ANOVA and Fisher's LSD test showed that oil compositions varied depending on the ripeness stage and cultivar. Moreover, this latter had more influence than harvest dates on the VOO features. Besides, by applying the orthogonal partial least squares discriminant analysis, several key metabolites (C18:1, oleanolic acid, maslinic acid, oleacein, oleocanthal, and α‐tocopherol) differentiate the four cultivars. In contrast, squalene, oleanolic acid, maslinic acid, oleocanthal, luteolin, and α‐tocopherol could effectively differentiate the four harvesting dates.
Multisensory Pseudo‐Haptics for Rendering Manual Interactions with Virtual Objects
Authors: Pezent Evan , Macklin Alix , Yau Jeffrey M. , Colonnese Nicholas , O’Malley Marcia K.
Published: February 2023

Recent advances in extended reality (XR) technologies make seeing and hearing virtual objects commonplace, yet strategies for synthesizing haptic interactions with virtual objects continue to be limited. Two design principles govern the rendering of believable and intuitive haptic feedback: movement through open space must feel “free” while contact with virtual objects must feel stiff. Herein, a novel multisensory approach that conveys proprioception and effort through illusory visual feedback and refers to the wrist, via a bracelet interface, discrete and continuous interaction forces that would otherwise occur at the hands and fingertips, is presented. Results demonstrate that users reliably discriminate the stiffness of virtual buttons when provided with multisensory pseudohaptic feedback, comprising tactile pseudohaptic feedback (discrete vibrotactile feedback and continuous squeeze cues in a bracelet interface) and visual pseudohaptic illusions of touch interactions. Compared to the use of tactile or visual pseudohaptic feedback alone, multisensory pseudohaptic feedback expands the range of physical stiffnesses that are intuitively associated with the rendered virtual interactions and reduces individual differences in physical‐to‐virtual stiffness mappings. This multisensory approach, which leaves users' hands unencumbered, provides a flexible framework for synthesizing a wide array of touch‐enabled interactions in XR, with great potential for enhancing user experiences.
The influence of altitude on combustion characteristics within gas‐fired boiler by numerical simulation
Authors: Zhang Jingkun , Du Yongbo , Yu Jiming , Wang Yutao , Wang Changan , Che Defu , Da Yaodong
Published: February 2023

The reduced atmospheric pressure and oxygen mass concentration at high altitudes have brought tremendous problems to the operation of gas‐fired boiler, mainly due to their influence on gas combustion and flow within furnace. Boilers designed for plateau region generally experience insufficient output, incomplete combustion, and reduced thermal efficiency when operating at high altitudes. However, the impacts from increasing altitude to the combustion characteristics within furnace are still ambiguous, which greatly hampers the boiler design for high‐altitude area. In this paper, the influences of altitude on the gas combustion characteristics within furnace were explored by using the computational fluid dynamics (CFD) method. The simulation shows that when altitude rises from 0 to 4000 m, the flame length and width increase as well as the temperature within furnace, but the burnout rate decreases due to the reduced residence time. The furnace length and diameter of the boiler designed for high altitudes should be appropriately increased to avoid the high temperature flame from scouring the back tube sheet and the furnace liner. While the CO emissions are generally very low, an increasing trend with altitude was observed. In addition, for each 1000 m of altitude rise, the NOx emissions increase by about 14 mg·m−3 at 100% loads and α = 1.05. The present work reveals the influence of altitude on combustion characteristics within gas‐fired boiler, which can guide the design and operation of the gas‐fired boiler at high altitudes.
Preparation and characterization of carbon quantum dot‐hydroxyapatite‐alginate based hybrid fluorescent ink for sensor application
Authors: Selvaraj Sharmila , Dhesingh Ravi Shankaran
Published: February 2023

Development of multifunctional fluorescent inks is gaining attention owing to the current technological developments in optoelectronics. The present work involves the development of a simple and highly fluorescent carbon quantum dot (CQD)‐based nano‐ink suitable for sensor and bioimaging applications. CQDs were synthesized by a one‐pot hydrothermal method using folic acid (FA) a carbon source. The synthesized CQDs were conjugated with hydroxyapatite (HAP) and sodium aliginate (SA) by covalent and ionic linkages methods. Fourier transform infrared (FT‐IR) spectra confirm the formation of nano‐inks by the ionic interaction between the HAP and SA and  conjugation with CQDs through hydrogen bonding. The surface morphology of the CQDs and nano‐inks depicts that the particles exhibit in spherical and needle‐like morphological structures, respectively. The X‐ray diffraction (XRD) pattern confirms that the obtained CQDs and fluorescent nano‐ink are highly crystalline in nature. The SA and HAP provided shear thinning ability and structural stability for the fluorescent nano‐ink. The nano‐ink‐based strips displayed high fluorescence under Ultraviolet irradiation. The fluorescent nano‐ink could be used in bioimaging, flourescent coatings, and anti‐counterfeiting applications.
Electrochemically Enabled Direct C3‐Formylation of Imidazopyridines with Me3N as a Carbonyl Source
Authors: Tang Zhicong , Hong Gang , Sun Shiyun , Wang Limin
Published: February 2023

A metal‐free and oxidant‐free electrochemically enabled strategy for C‐3 formylation of imidazopyridines using trimethylamine as a one‐carbon source has been established. This conversion has high functional group compatibility under mild conditions and ensures late‐stage functionalization of pharmaceutical molecules. Furthermore, unexpected hexafluoroisopropoxylation products have been observed in some cases. Mechanistic studies using cyclic voltammetry and control experiments reveal the key intermediate of the formylation process.
Non‐classical Non‐covalent σ‐Hole Interactions in Protein Structure and Function: Concepts for Potential Protein Engineering Applications
Authors: Walker Margaret G. , Mendez C. Gustavo , Ho P. Shing
Published: February 2023

The structures and associated functions of biological molecules are driven by noncovalent interactions, which have classically been dominated by the hydrogen bond (H‐bond). Introduction of the σ‐hole concept to describe the anisotropic distribution of electrostatic potential of covalently bonded elements from across the periodic table has opened a broad range of nonclassical noncovalent (ncNC) interactions for applications in chemistry and biochemistry. Here, we review how halogen bonds, chalcogen bonds and tetrel bonds, as they are found naturally or introduced synthetically, affect the structures, assemblies, and potential functions of peptides and proteins. This review intentionally focuses on examples that introduce or support principles of stability, assembly and catalysis that can potentially guide the design of new functional proteins. These three types of ncNC interactions have energies that are comparable to the H‐bond and, therefore, are now significant concepts in molecular recognition and design. However, the recently described H‐bond enhanced X‐bond shows how synergism among ncNC interactions can be exploited as potential means to broaden the range of their applications to affect protein structures and functions.
The impact of sleep quality, fatigue and social well‐being on depressive symptomatology in autistic older adolescents and young adults
Authors: Richdale Amanda L. , Chetcuti Lacey , Hayward Susan M. , Abdullahi Ifrah , Morris Eric M. J. , Lawson Lauren P.
Published: February 2023

Depression and poor sleep quality commonly co‐occur with autism, and depression has been associated with loneliness and reduced social support. In non‐autistic samples, poor sleep quality and daytime fatigue also contribute to depression. However, the contribution of sleep quality and fatigue to depressive symptoms, and how they interact with social factors to influence depression in autism remain unexplored. Our aim was to examine these relationships in 114 young autistic adults aged 15–25 years (57% male) from the SASLA online, longitudinal study (baseline and 2‐year follow‐up). Hierarchical multiple regression models examined the association between social well‐being (social integration and social contribution; T1), sleep quality (T1, T2), and fatigue (T1, T2) on depression (T1, T2). Two mediation models were conducted on T1 data predicting depression from sleep quality though fatigue and sleep quality through social well‐being. Depression and fatigue scores did not change over 2 years, but sleep quality worsened. The T1 regression model was significant (R2 = 36%) with fatigue and social contribution individually predicting depression symptomatology. The longitudinal regression model was also significant (adjusted R2 = 57%) with social contribution (T1) as the only significant predictor of depression (T2). Fatigue trended towards mediating the sleep quality–depression relationship, while social well‐being was a significant partial mediator of this relationship. Results highlight that sleep quality, fatigue, and social well‐being contribute to depression among young autistic adults. Interestingly, fatigue and social well‐being were independently associated with depression. Thus, addressing sleep quality and associated fatigue, and social well‐being is important when treating depression in autistic individuals.
Deletion of NRF2 disturbs composition, morphology, and differentiation of the murine tail epidermis in chronological aging
Authors: Sochorová Michaela , Kremslehner Christopher , Nagelreiter Ionela‐Mariana , Ferrara Francesca , Lisicin Maja Mitrovic , Narzt Marie‐Sophie , Bauer Christina , Stiegler Alexandra , Golabi Bahar , Vávrová Katerina , Gruber Florian
Published: February 2023

NRF2 is a master regulator of the cellular protection against oxidative damage in mammals and of multiple pathways relevant in the mammalian aging process. In the epidermis of the skin NRF2 contributes additionally to the formation of an antioxidant barrier to protect from environmental insults and is involved in the differentiation process of keratinocytes. In chronological aging of skin, the capacity for antioxidant responses and the ability to restore homeostasis after damage are impaired. Surprisingly, in absence of extrinsic stressors, NRF2 deficient mice do not show any obvious skin phenotype, not even at old age. We investigated the differences in chronological epidermal aging of wild type and NRF2‐deficient mice to identify the changes in aged epidermis that may compensate for absence of this important transcriptional regulator. While both genotypes showed elevated epidermal senescence markers (increased Lysophospholipids, decreased LaminB1 expression), the aged NRF2 deficient mice displayed disturbed epidermal differentiation manifested in irregular keratin 10 and loricrin expression. The tail skin displayed less age‐related epidermal thinning and a less pronounced decline in proliferating basal epidermal cells compared to the wildtype controls. The stratum corneum lipid composition also differed, as we observed elevated production of barrier protective linoleic acid (C18:2) and reduced abundance of longer chain saturated lignoceric acid (C24:0) among the stratum corneum fatty acids in the aged NRF2‐deficient mice. Thus, despite epidermal differentiation being disturbed in aged NRF2‐deficient animals in homeostasis, adaptations in keratinocyte proliferation and barrier lipid synthesis could explain the lack of a more severe phenotype.
The circular economy and its benefits for pro‐environmental companies
Authors: Nowicki Paweł , Ćwiklicki Marek , Kafel Piotr , Niezgoda Janusz , Wojnarowska Magdalena
Published: February 2023

An increasingly visible trend among enterprises is the belief that one of the most effective ways of achieving growth is through the transition from the current ‘linear’ business model to a circular economy. This approach enables enterprises to create a pro‐environmental image and, at the same time, obtain a number of benefits. The purpose of this article is to demonstrate the dependencies involved in meeting the requirements of a circular economy through the implementation of individual activities in the 9R framework in the context of the tools used and the benefits obtained. The research shows that such organisations can obtain a wide range of economic, operational, and social benefits, as leaders in forging a pro‐environmental approach. However, they must use already available tools on a larger scale and implement and propagate actions that fit into the 9R strategies framework.
Patients and psychotherapists using concessive counter‐argumentation: Co‐constructing new framings
Authors: Luciani Margherita , Convertini Josephine
Published: February 2023

Shifting point of view and imagining alternative scenarios can be considered crucial goals of every therapeutic path. Reframing is aimed at stimulating other hypotheses and new viewpoints of the same situation and at adding complexity to one's own and to the others' world images. An interesting aspect to be investigated is the linguistic mechanisms through which this reframing can be enacted. Our work has an interdisciplinary focus and can be staged in between theories and techniques of psychotherapy on the one side and argumentation theory on the other side. The aim of this contribution was to explore the potential role that concessive counter‐argumentation plays in amplifying and redefining patients' framing. Our study consists of an in‐depth single‐case analysis based on two psychotherapeutic sessions. The analysis comprises different steps: first, we identified the concessive sentences in the transcriptions of the psychotherapy sessions and we considered them as counter‐argumentations; second, we identified the two parts of the concessive counter‐argumentations; third, we identified the inferences that could be drawn from these two parts; and finally, we reconstructed the contextual framing that was enacted and endorsed by both the patient and the therapist. The findings show that both the therapist's and the patient's concessive counter‐argumentations help in detecting key passages of sessions that open new, previously unimagined scenarios, thereby also contributing to clinical theory.
The impact of customer engagement on customer happiness
Authors: de Azambuja Gina María Pipoli , Rodriguez Peña Gustavo Adolfo , Vargas Enver Gerald Tarazona
Published: February 2023

Previous studies have found relationships between variables that predict happiness and engagement. While this suggests that engagement is a basis for generating customer happiness, the literature does not provide sufficient confirmatory evidence. Thus, the effects of different engagement intensities remain unclear. Focusing on conditions related to the Starbucks brand, this study analyzed how (1) passive and active engagement impacted customer happiness and (2) happiness impacted word of mouth (WOM) and purchase intention. Data were collected through an online survey among 802 Peruvian customers, all of whom were recruited via non‐probabilistic sampling. Because two exogenous variables were considered formative (i.e., customer engagement and customer happiness), a partial least‐squares structural equation model (PLS‐SEM) was used for the analysis. In sum, engagement (both passive and active) significantly and positively impacted customer happiness, which then positively impacted WOM and purchase intention. Given that engagement is associated with variables that are broadly related to happiness, this study makes new contributions by (i) clarifying how customer engagement can generate customer happiness, (ii) identifying differences between active and passive engagement, and (iii) adding evidence for use in the debate on the purpose of marketing and traditional practices such as engagement. As discussed in the paper, these findings have theoretical and practical implications for brand managers.
Synthesis, Biological Evaluation, and Molecular Modeling Studies of New 1,3,4‐Thiadiazole Derivatives as Potent Antimicrobial Agents
Authors: Acar Çevik Ulviye , Celik Ismail , İnce Ufuk , Maryam Zahra , Ahmad Iqrar , Patel Harun , Özkay Yusuf , Asım Kaplancıklı Zafer
Published: February 2023

In this work, the synthesis, characterization, and biological activities of a new series of 1,3,4‐thiadiazole derivatives were investigated. The structures of final compounds were identified using 1H‐NMR, 13C‐NMR, elemental analysis, and HRMS. All the new synthesized compounds were then screened for their antimicrobial activity against four types of pathogenic bacteria and one fungal strain, by application of the MIC assays, using Ampicilin, Gentamycin, Vancomycin, and Fluconazole as standards. Among the compounds, the MIC values of 4 and 8 μg/mL of the compounds 3f and 3g, respectively, are remarkable and indicate that these compounds are good candidates for antifungal activity. The docking experiments were used to identify the binding forms of produced ligands with sterol 14‐demethylase to acquire insight into relevant proteins. The MD performed about 100 ns simulations to validate selected compounds’ theoretical studies. Finally, using density functional theory (DFT) to predict reactivity, the chemical characteristics and quantum factors of synthesized compounds were computed. These results were then correlated with the experimental data. Furthermore, computational estimation was performed to predict the ADME properties of the most active compound 3f.
Bioisosterism: 1,2,4‐Oxadiazole Rings
Authors: Camci Merve , Karali Nilgün
Published: February 2023

Although studies in drug discovery have gained momentum in recent years, the conversion of drugs in use today into less toxic derivatives with pharmacologically superior properties is still of great importance in drug research. Bioisosterism facilitates the conversion of drugs into derivatives that present more positive pharmacological and toxicological profiles by changing existing groups in the drug structure within the framework of certain criteria that have been expanded today. The 1,2,4‐oxadiazole ring is used as a bioisostere for ester and amide groups due to its resistance to hydrolysis. However, this ring is not limited to esters and amides, but can also be used as a bioisostere for other functional groups. In this review, cases in which the 1,2,4‐oxadiazole ring is used as a bioisostere for various functional groups are discussed. Herein we shed light on 1,2,4‐oxadiazole bioisosterism in the development of new drug candidates and in enhancing the pharmacological profiles of currently available drugs.
A prospective cohort study of decision‐making role preferences of patients with advanced cancer and their family caregivers
Authors: Ozdemir Semra , Ng Sean , Chaudhry Isha , Malhotra Chetna , Finkelstein Eric Andrew ,   COMPASS Study Group
Published: February 2023

Background

This study aimed to examine (1) the evolution of patients–caregiver dyad decision‐making role preferences over 3 years and the predictors of these preferences; and (2) discordance in decision‐making role preferences among dyads.

Methods

A total of 311 patients with advanced solid cancer and their caregivers in Singapore reported their preferences for decision‐making roles every 3 months. The predictors for decision‐making role preferences among dyads were identified via the actor–partner interdependence framework using a mixed‐effect ordered logistic model.

Results

The proportion of patients and caregivers preferring patient‐led decision‐making was higher at the end of third year compared to baseline (patients: 40% vs. 20%, p value <.01; caregivers: 33% vs. 21%, p value = .03). Patients with female (odds ratio [OR], 1.74; p value <.01) and older (1‐year OR, 1.02; p value <.01) caregivers and younger patients (1‐year OR, 0.97; p value <.01) preferred higher involvement in decision‐making. Caregivers with tertiary education (vs. lower education) (OR, 1.59; p value = .02) and those who accurately understood patients' treatment goals (OR, 1.37; p value = .01) preferred greater patient involvement in decision‐making. Conversely, caregivers of female patients (OR, 0.68; p value = .03) and younger patients (1‐year OR, 0.98; p value <.01) preferred lesser patient involvement in decision‐making. The proportion of patient‐caregiver dyads with discordance in preferred decision‐making was lower at the end of the third year (51%) compared to baseline (68%) (p value <.01).

Conclusion

Despite a reduction in the proportion of dyads with discordance toward the end‐of‐life, the percentage with discordance remained high throughout the illness trajectory. Interventions facilitating open communication between dyads should be pursued in efforts to decrease dyadic discordance.
Utilizing mixture design response surface methodology to determine effective combinations of plant derived compounds as prostate cancer treatments
Authors: Berlin Ian Geddes , Jennings Charity Conlin , Shin Spencer , Kenealey Jason
Published: February 2023

Background

Prostate cancer (PC) is estimated to cause 13.1% of all new cancer cases in the United States in 2021. Natural bioactive compounds have drawn the interest of researchers worldwide in their efforts to find novel treatments for PC. Many of these bioactive compounds have been identified from traditional Chinese medicine (TCM) remedies often containing multiple bioactive compounds. However, in vitro studies frequently focus on the compounds in isolation.

Aim

We used mixture design response surface methodology (MDRSM) to assess changes in PC cell viability after 48 h of treatment to identify the optimal mixture of all 35 three‐compound combinations of seven bioactive compounds from TCM.

Methods and Results

We used berberine, wogonin, shikonin, curcumin, triptolide, emodin, and silybin to treat PC3 and LNCaP human PC cells at their IC50 concentrations that we calculated. These compounds modulate many chemotherapeutic pathways including intrinsic and extrinsic apoptosis, increasing reactive oxygen species, decreasing metastatic pathways, inhibiting cell cycle progression. We hypothesize that because these compounds bind to unique molecular targets to activate different chemotherapeutic pathways, they will act synergistically to decrease tumor cell viability. Results from MDRSM showed that two‐way combinations were more effective than three‐way or single compounds. Most notably wogonin, silybin, emodin and berberine responded well in two‐compound combinations with each other in PC3 and LNCaP cells. We then conducted cell viability tests combining two bioactive compound ratios with docetaxel (Doc) and found significant results within the LNCaP cell line. In particular, mixtures of berberine and wogonin, berberine and silybin, emodin and berberine, and emodin and silybin reduced LNCaP cell viability up to an average of 90.02%. The two‐compound combinations were significantly better than docetaxel treatment of LNCaP cells.

Conclusion

Within the PC3 cells, we show that a combination of berberine, wogonin and docetaxel is just as effective as docetaxel alone. Thus, we provide new combination treatments that are highly effective in vitro for treating androgen‐dependent and androgen‐independent PC.
Low‐power temperature‐independent CMOS measurement circuits for resistive gas sensors
Authors: Goyret Juan P. , Cassani María V. , Carbonetto Sebastián H. , Garcia‐Inza Mariano A.
Published: February 2023

In this work, we present the design of three different circuits for the measurement of resistive gas sensors. Schematic designs of each approach are discussed and simulated using HSPICE in a commercial CMOS 180 nm technology node. Their physical layout is also implemented. The three designs output a pulsed voltage signal whose period is modulated by the resistance of the sensor. They also implement differential measurement techniques in order to reduce the effect of temperature variations. The first design uses an operational amplifier and a resistor to measure the sensor and transduce its signal; the second one employs a Wheatstone bridge with common‐mode feedback and a bulk‐input OTA; and the third one utilizes a current‐mode Wheatstone bridge built with a current‐conveyor 2. The designs consume between 1.8 and
W; their temperature coefficient is always between 60 and 305 ppm/° C; and their resolution is between 0.25% and 1%. The circuits are compatible with sensors of a wide resistance range, being the best one tolerant to resistances between 2 M
and 1 G
. Therefore, these designs are ideal for low‐power autonomous applications in environments where temperature is not controlled.
Real‐time intelligent classification of COVID‐19 and thrombosis via massive image‐based analysis of platelet aggregates
Authors: Zhang Chenqi , Herbig Maik , Zhou Yuqi , Nishikawa Masako , Shifat‐E‐Rabbi Mohammad , Kanno Hiroshi , Yang Ruoxi , Ibayashi Yuma , Xiao Ting‐Hui , Rohde Gustavo K. , Sato Masataka , Kodera Satoshi , Daimon Masao , Yatomi Yutaka , Goda Keisuke
Published: February 2023

Microvascular thrombosis is a typical symptom of COVID‐19 and shows similarities to thrombosis. Using a microfluidic imaging flow cytometer, we measured the blood of 181 COVID‐19 samples and 101 non‐COVID‐19 thrombosis samples, resulting in a total of 6.3 million bright‐field images. We trained a convolutional neural network to distinguish single platelets, platelet aggregates, and white blood cells and performed classical image analysis for each subpopulation individually. Based on derived single‐cell features for each population, we trained machine learning models for classification between COVID‐19 and non‐COVID‐19 thrombosis, resulting in a patient testing accuracy of 75%. This result indicates that platelet formation differs between COVID‐19 and non‐COVID‐19 thrombosis. All analysis steps were optimized for efficiency and implemented in an easy‐to‐use plugin for the image viewer napari, allowing the entire analysis to be performed within seconds on mid‐range computers, which could be used for real‐time diagnosis.
Effect of HepG2 cell 3D cultivation on the metabolism of the anabolic androgenic steroid metandienone
Authors: Gronert Anika , Zierau Oliver , Thieme Detlef , Keiler Annekathrin Martina
Published: February 2023

The elucidation of the metabolic fate of prohibited substances is crucial for the abuse detection. The human hepatocyte cell line HepG2 can be used to study biotransformation. In order to improve this in vitro model system, we compared the HepG2 spheroid generation using three different techniques: a forced floating, a scaffold‐free and a scaffold‐based method. We characterized the spheroids with regard to the expression levels of the proliferation marker Mki67, the liver‐specific marker albumin and biotransformation enzymes. Moreover, the metandienone metabolite pattern was comparatively analysed by high‐performance liquid chromatography mass spectrometry. With all three techniques, HepG2 spheroids were generated showing a degree of differentiation. The forced floating method resulted in very large spheroids (1 mm in diameter) showing signs of necrosis in the centre and a very low metandienone conversion rate. The spheroids formed by the two other techniques were comparable in size with 0.5 mm in diameter on average. Among the three different 3D cultivation methods, the HepG2 spheroids formed on Matrigel® as extracellular matrix were the most promising regarding biotransformation studies on anabolic androgenic steroids. Prospectively, HepG2 spheroids are a promising in vitro model system to study multidrug setups, drug–drug interactions and the biotransformation of other substance classes.
Correction of the urinary testosterone to epitestosterone ratio measurement in antidoping analyses by chromatographic and mass spectrometric techniques
Authors: Martínez Brito Dayamín , Vidal Teresa Correa , de la Torre Xavier , de Oca Porto Rodny Montes , Botrè Francesco
Published: February 2023

The ratio of testosterone (T) to epitestosterone (E) determined in urine samples is the main biomarker used to prove T and precursors abused by athletes. Analytically, the correction of the ratio is required by the World Anti‐Doping Agency. This work describes a series of experiments aimed to study when it is appropriate to correct the T/E ratio value, using different mass spectrometric techniques since only reports on GC‐MS exist. Analyses using external calibrators, controls, and routine samples were performed by three different techniques GC‐MS, GC‐MSn, and LC‐MSn. A statistical comparison of the T/E was performed after the application of two corrections previously published: Isotopic contribution peak area correction (corr_1) and use of a verified internal deuterated internal standard (TD3/ED3) correction (corr_2) and the ratio based on T and E concentrations. The use of external calibration samples introduces biases that influence not only the T and E concentrations but also the T/E ratio, even when both methods of correction are applied. The correction after applying corr_1 method barely contributed to the accuracy of the T/E calculation. Nevertheless, the application of the corr_2 method increased the accuracy between 5% and 6% when comparing theoretical and experimental T/E values. Finally, the best results were obtained by the ratio calculated directly from the estimated concentrations of T and E. Attention must be paid when the T/E is measured by LC‐MSn since different acquisition modes produced significantly different results, even in MS/MS when the same transition is used for T and E.
If we build it, will they come? Commentary on “Preventing eating disorders and disordered eating in high‐risk families”
Authors: Bulik Cynthia M.
Published: February 2023

Levine and Sadeh‐Sharvit (2023) open the door to a logical and evidence‐based targeted prevention strategy adapted from the field of depression. Their proposal is likely to benefit parents who are dealing with their own eating disorders and disordered eating while simultaneously breaking the cycle of risk inherent in the intergenerational transmission of eating disorders. The approach honors the wishes of parents who desperately want to buffer their children from the pain they experienced with their own suffering and provides hope for reducing environmental exposures that could augment any genetic risk that children of affected parents may hold.
Initial ecological change in plant and arthropod community composition after wildfires in designated areas of upland peatlands
Authors: Kelly Ruth , Montgomery W. Ian , Reid Neil
Published: February 2023

Wildfires are an increasing concern due to rising temperatures and incidence of droughts associated with changing climate, poor land management, and direct human interference. Most studies of the impact of fire on temperate heathland and bog examined the consequences of controlled or prescribed burning. Less is known about the impacts of uncontrolled wildfires on sites designated for their conservation value. We examined the initial impact and short‐term trajectory (3.5 years) of cool temperate peatland plant and arthropod communities on designated upland sites in Northern Ireland following wildfires, that is, unplanned with respect to where and when they occur, severity, and duration. These near simultaneous wildfires were often due to a failure to control prescribed burns. Wildfires were associated with a loss of blanket bog and heath indicator species. Broad vegetation groups showed initial recovery characterized by a decrease in bare ground and increasing cover of shrub species and bryophytes. However, at a species level, Sphagnum spp and bryophyte communities, which are central to peatland ecosystem functioning, showed no sign of recovery to prefire composition. Rather, bryophyte communities became more divergent over the course of the study and were mainly characterized by increased abundance of the alien pioneer acrocarp Campylopus introflexus. Similarly, composition of arthropod communities (ground beetles and spiders) differed between burnt and unburnt areas and showed no evidence of a return to species composition in unburnt areas. The nationally rare beetle Carabus nitens was more common in the aftermath of wildfire. Synthesis. Whilst, long‐term recovery was not investigated, these short‐term changes suggest enduring detrimental impacts on the distinctive communities associated with peatlands, primarily through the loss of Sphagnum spp., affecting ecosystem services such as carbon sequestration and water and soil retention. It may not be possible to restore exact prefire species composition of plant and animal communities. We suggest a precautionary approach involving management of upland vegetation, public education, and vigilance, to prevent further wildfires and protect these key upland habitats.
A population in perpetual motion: Highly dynamic roosting behavior of a tropical island endemic bat
Authors: Aguillon Samantha , Le Minter Gildas , Lebarbenchon Camille , Hoarau Axel O. G. , Toty Céline , Joffrin Léa , Ramanantsalama Riana V. , Augros Stéphane , Tortosa Pablo , Mavingui Patrick , Dietrich Muriel
Published: February 2023

Although island endemic bats are a source of considerable conservation concerns, their biology remains poorly known. Here, we studied the phenology and roosting behavior of a tropical island endemic species: the Reunion free‐tailed bat (Mormopterus francoismoutoui). This widespread and abundant species occupies various natural and anthropogenic environments such as caves and buildings. We set up fine‐scale monitoring of 19 roosts over 27 months in Reunion Island and analyzed roost size and composition, sexual and age‐associated segregation of individuals, as well as the reproductive phenology and body condition of individuals. Based on extensive data collected from 6721 individuals, we revealed a highly dynamic roosting behavior, with marked seasonal sex‐ratio variation, linked to distinct patterns of sexual aggregation among roosts. Despite the widespread presence of pregnant females all over the island, parturition was localized in a few roosts, and flying juveniles dispersed rapidly toward all studied roosts. Our data also suggested a 7‐month delay between mating and pregnancy, highlighting a likely long interruption of the reproductive cycle in this tropical bat. Altogether, our results suggest a complex social organization in the Reunion free‐tailed bat, with important sex‐specific seasonal and spatial movements, including the possibility of altitudinal migration. Bat tracking and genetic studies would provide additional insights into the behavioral strategies that shape the biology of this enigmatic bat species. The fine‐scale spatiotemporal data revealed by our study will serve to the delineation of effective conservation plans, especially in the context of growing urbanization and agriculture expansion in Reunion Island.