bluuebunny/crossref_metadata_2025 huggingface dataset:
Perspective on Tailored Nanostructure‐Dominated SPP Effects for SERS
Authors: Hu Haifeng , Tian Yi , Chen Peipei , Chu Weiguo
Published: November 2023

Localized surface plasmon resonance (LSPR) excited by an incident light can normally produce strong surface‐enhanced Raman scattering (SERS) at the nanogaps among plasmonic nano‐objects (so‐called hot spots), which is extensively explored. In contrast, surface plasmon polaritons (SPPs) that can be generated by an incident beam via particular structures with a conservation of wave vectors can excite SERS effects as well. SPPs actually play an indispensable role in high‐performance SERS devices but receive much less attention. In this perspective, SPPs and their couplings with LSPR for SERS excitations with differing effectiveness through particular plasmonic/dielectric structures/configurations, along with relevant fabrication approaches, are profoundly reviewed and commented on from a unique perspective from in situ to ex situ excitations of SERS enabled by spatiotemporally separated multiple processes of SPPs. Quantitative design of particular configurations/architectures enabling highly efficient and effective multiple processes of SPPs is particularly emphasized as one giant leap toward ultimate full quantitative design of intrinsically high‐performance SERS chips and very critical for their batch manufacturability and applications as well. The viewpoints and prospects about innovative SERS devices based on tailored structure‐dominated SPPs effects and their coupling with LSPR are presented and discussed.
Understanding the Heterointerfaces in Perovskite Solar Cells via Hole Selective Layer Surface Functionalization
Authors: Nath Bidisha , Behera Sushant K , Kumar Jeykishan , Hemmerle Arnaud , Fontaine Philippe , Ramamurthy Praveen C , Mahapatra Debiprosad Roy , Hegde Gopalkrishna
Published: November 2023

Interfaces in perovskite solar cells (PSCs) play a pivotal role in determining device performance by influencing charge transport and recombination. Understanding the physical processes at these interfaces is essential for achieving high‐power conversion efficiency in PSCs. Particularly, the interfaces involving oxide‐based transport layers are susceptible to defects like dangling bonds, excess oxygen, or oxygen deficiency. To address this issue, the surface of NiOx is passivated using octadecylphosphonic acid (ODPA), resulting in improved charge transport across the perovskite hole transport layer (HTL) interface. This surface treatment has led to the development of hysteresis‐free devices with an impressive ≈13% increase in power conversion efficiency. Computational studies have explored the halide perovskite architecture of ODPA‐treated HTL/Perovskite, aiming to unlock superior photovoltaic performance. The ODPA surface functionalization has demonstrated enhanced device performance, characterized by superior charge exchange capacity. Moreover, higher band‐to‐band recombination in photoluminescence and electroluminescence indicates presence of lower mid‐gap energy states, thereby increasing the effective photogenerated carrier density. These findings are expected to promote the utilization of various phosphonic acid‐based self‐assembly monolayers for surface passivation of oxide‐based transport layers in perovskite solar cells. Ultimately, this research contributes to the realization of efficient halide PSCs by harnessing the favorable architecture of NiOx interfaces.
NiOx Nanoparticles Hole‐Transporting Layer Regulated by Ionic Radius‐Controlled Doping and Reductive Agent for Organic Solar Cells with Efficiency of 19.18%
Authors: Zhang Guangcong , Chen Qiaomei , Zhang Zhou , Gao Zihao , Xiao Chengyi , Wei Yen , Li Weiwei
Published: November 2023

Nickel oxide (NiOx) has garnered considerable attention as a prospective hole‐transporting layer (HTL) in organic solar cells (OSCs), offering a potential solution to the stability challenges posed by traditional HTL, PEDOT:PSS, arising from acidity and hygroscopicity. Nevertheless, the lower work function (WF) of NiOx relative to donor polymers reduces charge injection efficiency in OSCs. Herein, NiOx nanoparticles are tailored through rare earth doping to optimize WF and the impact of ionic radius on their electronic properties is explored. Lanthanum (La3+) and yttrium (Y3+) ions, with larger ionic radii, are effectively doped at 1 and 3%, respectively, while scandium (Sc3+), with a smaller ion radius, allows enhanced 5% doping. Higher doping ratios significantly enhance WF of NiOx. A 5% Sc3+ doping raises WF to 4.99 eV from 4.77 eV for neat NiOx while maintaining high conductivity. Consequently, using 5% Sc‐doped NiOx as HTL improves the power conversion efficiency (PCE) of OSCs to 17.13%, surpassing the 15.64% with the neat NiOx. Further enhancement to 18.42% is achieved by introducing the reductant catechol, outperforming the PEDOT:PSS‐based devices. Additionally, when employed in a ternary blend system (D18:N3:F‐BTA3), an impressive PCE of 19.18 % is realized, top‐performing among reported OSCs utilizing solution‐processed inorganic nanoparticles.
Pd(II)‐Catalyzed C−H Silylation of o‐Alkynylanilines Initiated by an Aminopalladation To Access Disilylated 2‐Phenyl‐1H‐indoles
Authors: Chen Yan , Zhu Ling , Tan Xuliang , Chen Xiahong , Deng Guobo , Liang Yun , Yang Yuan
Published: November 2023

Herein a Pd(II)‐catalyzed C−H silylation of o‐alkynylanilines with hexamethyldisilane for the synthesis of disilylated 2‐phenyl‐1H‐indoles is reported. In this reaction, o‐alkynylanilines undergo an aminopalladation, C−H activation, and dealkylation sequence to form five‐membered C,C‐palladacycles, which then couple with hexamethyldisilane to construct one C−N bond and two C−Si bonds. This method provides an alternative strategy for C−H silylation.
In Situ Probing of CO2 Reduction on Cu‐Phthalocyanine‐Derived CuxO Complex
Authors: Jeong Yongchan , Kim Yongman , Kim Young Jae , Park Jeong Young
Published: November 2023

An in situ measurement of a CO2 reduction reaction (CO2RR) in Cu‐phthalocyanine (CuPC) molecules adsorbed on an Au(111) surface is performed using electrochemical scanning tunneling microscopy. One intriguing phenomenon monitored in situ during CO2RR is that a well‐ordered CuPC adlayer is formed into an unsuspected nanocluster via molecular restructuring. At an electrode potential of −0.7 V versus Ag/AgCl, the Au surface is covered mainly with the clusters, showing restructuring‐induced CO2RR catalytic activity. Using a measurement of X‐ray photoelectron spectroscopy, it is revealed that the nanocluster represents a Cu complex with its formation mechanism. This work provides an in situ observation of the restructuring of the electrocatalyst to understand the surface‐reactive correlations and suggests the CO2RR catalyst works at a relatively low potential using the CuPC‐derived Cu nanoclusters as active species.
Hydro‐Sensitive, In Situ Ultrafast Physical Self‐Gelatinizing, and Red Blood Cells Strengthened Hemostatic Adhesive Powder with Antibiosis and Immunoregulation for Wound Repair
Authors: Shang Lingling , Yan Yonggan , Li Zhao , Liu Hong , Ge Shaohua , Ma Baojin
Published: November 2023

Immediate and effective hemostatic treatments for complex bleeding wounds are an urgent clinical demand. Hemostatic materials with characteristics of adhesion, sealing, anti‐infection, and concrescence promotion have drawn growing concerns. However, pure natural multifunctional hemostatic materials with in situ ultrafast self‐gelation are rarely reported. In this study, a hydro‐sensitive collagen/tannic acid (ColTA) natural hemostatic powder is developed that can in situ self‐gel to form adhesive by the non‐covalent crosslinking between tannic acid (TA) and collagen (Col) in liquids. The physical interactions endow ColTA adhesive with the characteristics of instantaneous formation and high adhesion at various substrate surfaces. Crucially, ColTA powder adhesive shows an enhanced adhesion performance in the presence of blood due to the electrostatic interactions between ColTA adhesive and red blood cells, conducive to effective in situ sealing and rapid hemostasis. The biocompatible and hemocompatible ColTA adhesive can effectively control bleeding and seal the wounds of the caudal vein, liver, heart, and femoral arteries in rats. Furthermore, the low‐cost and ready‐to‐use ColTA adhesive powder also possesses good antibacterial and inhibiting biofilm formation ability, and can efficiently regulate immune response by the NF‐κB pathway to promote wound repair, making it a highly promising hemostatic material with great potential for biomedical applications.
Changes in anthropometry in full‐term breastfed newborns and associated factors for the first month
Authors: Aydın Beril , Yalçin Siddika Songül
Published: November 2023

Objective

We aim to assess the changes and associated factors in newborn anthropometry in the first month for full‐term, healthy, and exclusive‐breastfed infants.

Methods

Neonatal anthropometric measurements were taken on day 5, day 15, and day 30 after delivery. Generalized estimating equations (GEE) analyzed the changes.

Results

From 169 mother–newborn pairs, GEE showed that weight gain during the first month was influenced by maternal body mass index (BMI), delivery type, birth weight, and jaundice after adjusting confounding factors (p < .05). The neonatal length was affected by the smoking status of parents, gestational maternal health problems, maternal height, birth weight, and jaundice (p < .05). Neonatal head circumference was influenced by the smoking status of parents, gestational maternal health problems, maternal BMI, delivery type, maternal height, and birth weight.

Conclusion

Adverse perinatal factors including mother's smoke exposure, maternal obesity and diabetes, cesarean birth, and neonatal hyperbilirubinemia influence anthropometry in the first months of life.
Catalytic Atroposelective Synthesis of Axially Chiral Azomethine Imines and Neuroprotective Activity Evaluation
Authors: Yang Qian‐Qian , Chen Chen , Yao Dahong , Liu Wei , Liu Bo , Zhou Jin , Pan Dabo , Peng Cheng , Zhan Gu , Han Bo
Published: November 2023

Azomethine imines, as a prominent class of 1,3‐dipolar species, hold great significance and potential in organic and medicinal chemistry. However, the reported synthesis of centrally chiral azomethine imines relies on kinetic resolution, and the construction of axially chiral azomethine imines remains unexplored. Herein, we present the synthesis of axially chiral azomethine imines through copper‐ or chiral phosphoric acid catalyzed ring‐closure reactions of N′‐(2‐alkynylbenzylidene)hydrazides, showcasing high efficiency, mild conditions, broad substrate scope, and excellent enantioselectivity. Furthermore, the biological evaluation revealed that the synthesized axially chiral azomethine imines effectively protect dorsal root ganglia (DRG) neurons by inhibiting apoptosis induced by oxaliplatin, offering a promising therapeutic approach for chemotherapy‐induced peripheral neuropathy (CIPN). Remarkably, the (S)‐ and (R)‐atropisomers displayed distinct neuroprotective activities, underscoring the significance of axial stereochemistry.
New azaaurone derivatives as potential multitarget agents in HIV‐TB coinfection
Authors: Leite Debora I. , Campaniço Andre , Costa Pedro A. G. , Correa Isadora A. , da Costa Luciana J. , Bastos Monica M. , Moreira Rui , Lopes Francisca , Jordaan Audrey , Warner Digby F. , Boechat Nubia
Published: November 2023

Tuberculosis (TB) disease, caused by Mycobacterium tuberculosis (Mtb) is the leading cause of death among people with human immunodeficiency virus (HIV) infection. No dual‐target drug is currently being used to simultaneously treat both infections. This work aimed to obtain new multitarget HIV‐TB agents, with the goal of optimizing treatments and preventing this coinfection. These compounds incorporate the structural features of azaaurones as anti‐Mtb and zidovudine (AZT) as the antiretroviral moiety. The azaaurone scaffold displayed submicromolar activities against Mtb, and AZT is a potent antiretroviral drug. Six derivatives were synthetically generated, and five were evaluated against both infective agents. Evaluations of anti‐HIV activity were carried out in HIV‐1‐infected MT‐4 cells and on endogenous HIV‐1 reverse transcriptase (RT) activity. The H37Rv strain was used for anti‐Mtb assessments. Most compounds displayed potent antitubercular and moderate anti‐HIV activity. (E)‐12 exhibited a promising multitarget profile with an MIC90 of 2.82 µM and an IC50 of 1.98 µM in HIV‐1‐infected T lymphocyte cells, with an 84% inhibition of RT activity. Therefore, (E)‐12 could be the first promising compound from a family of multitarget agents used to treat HIV‐TB coinfection. In addition, the compound could offer a prototype for the development of new strategies in scientific research to treat this global health issue.
Identification of age‐specific biomarkers of spinal cord injury: A bioinformatics analysis of young and aged mice models
Authors: Miao Wei , Su Zheng , Cheng Huilin
Published: November 2023

Background

Spinal cord injury (SCI) is a debilitating event that often results in long‐term physical damage, disability, and a significant impact on a patient's quality of life. Past research has noted an age‐dependent decline in regeneration post‐SCI. This study seeks to identify potential biomarkers and enriched pathways in young and aged SCI mouse models.

Methods

We retrieved the microarray data of spinal cord samples from SCI mice and control mice from the Gene Expression Omnibus (GEO) database. Differentially expressed genes (DEGs) were identified using the R software and the Linear Models for Microarray Data (limma) package. The Gene Set Enrichment Analysis (GSEA) determined enrichment differences among gene sets. The Weighted Gene Co‐expression Network Analysis (WGCNA) pinpointed clinically significant modules and hub genes in SCI. Kyoto Encyclopedia of Genes and Genomes (KEGG) enrichment analysis was employed to uncover significantly related pathways of crucial genes in SCI.

Results

We found 2560 DEGs in the young SCI group, comprised of 1733 upregulated RNAs and 827 downregulated RNAs. In the aged SCI group, 3048 DEGs were revealed including 1856 upregulated and 1192 downregulated genes. The GSEA revealed 12 enriched signaling pathways in the young SCI group, such as IL6/JAK/STAT3 signaling, interferon alpha response, and interferon gamma response, and 21 signaling pathways in the aged SCI group such as IL6/JAK/STAT3 signaling, E2F targets, and angiogenesis‐related pathways. The WGCNA identified the turquoise module as significantly associated with the clinical traits of both young and aged SCI, and revealed 3181 hub genes. Ultimately, 1858 significant genes in SCI were found, with associated signaling pathways including epithelial‐mesenchymal transition (EMT), interferon gamma response, and KARS signaling.

Conclusion

Our study explored the RNA expression patterns and enriched signaling pathways in young and aged SCI mice. These findings may provide potential biomarkers for targeted SCI therapy.
Virtual external stimulation promotes the transformation of the brain state from early mild cognitive impairment to health
Authors: Wang Weiping , Wang Weiwei , Zhao Haiyan , Wang Zhen , Luo Xiong , Ouyang Jipeng
Published: November 2023

Neurostimulation has emerged as a potential remedy for early mild cognitive impairment (EMCI). However, further exploration is needed on how external stimulation of brain regions promotes the transition of the brain state from EMCI to health and the selection of target locations. In this study, a functional magnetic resonance imaging dataset was used to evaluate the brain states of healthy individuals and patients with EMCI to explore the probabilistic metastable substate space, identifying abnormal manifestations of EMCI. Stimulation targets were then identified and stimulated to achieve complete controllability of the effective connection network for EMCI. A whole‐brain model successfully fitted the brain state of the patients with EMCI based on diffusion tensor imaging data. Based on this whole‐brain model, stimulation of the hippocampus, medial frontal gyrus, suboccipital gyrus, and fusiform gyrus can promote the transformation of the brain state from EMCI to health. The findings reveal the underlying brain mechanisms of cognitive decline in patients with EMCI and the stimulation targets of the neural mechanisms of EMCI restoration, which could help in designing more effective therapeutic interventions for EMCI.
Ultrasmall Cu Nanoparticles Supported on Crystalline, Mesoporous ZnO for Selective CO2 Hydrogenation
Authors: Hu Mingzhen , Lu Xingxu , Zhu Chunxiang , Yang Tiangang , Tan Haiyan , Jin Lei , Kerns Peter , Meng Michael , Suib Steven L. , Gao Puxian , He Jie
Published: November 2023

Converting CO2 to value‐added chemicals, e. g., CH3OH, is highly desirable in terms of the carbon cycling while reducing CO2 emission from fossil fuel combustion. Cu‐based nanocatalysts are among the most efficient for selective CO2‐to‐CH3OH transformation; this conversion, however, suffers from low reactivity especially in the thermodynamically favored low temperature range. We herein report ultrasmall copper (Cu) nanocatalysts supported on crystalline, mesoporous zinc oxide nanoplate (Cu@mZnO) with notable activity and selectivity of CO2‐to‐CH3OH in the low temperature range of 200–250 °C. Cu@mZnO nanoplates are prepared based on the crystal‐crystal transition of mixed Cu and Zn basic carbonates to mesoporous metal oxides and subsequent hydrogen reduction. Under the nanoconfinement of mesopores in crystalline ZnO frameworks, ultrasmall Cu nanoparticles with an average diameter of 2.5 nm are produced. Cu@mZnO catalysts have a peak CH3OH formation rate of 1.13 mol h−1 per 1 kg under ambient pressure at 246 °C, about 25 °C lower as compared to that of the benchmark catalyst of Cu−Zn−Al oxides. Our new synthetic strategy sheds some valuable insights into the design of porous catalysts for the important conversion of CO2‐to‐CH3OH.
Atomically Dispersed Fe Motif‐based Electrocatalysts for Hydrogen Peroxide Synthesis
Authors: Zuo Sijin , Xue Wendan , Zhang Yinqiao , Chen Jianqiu , Lin Zhiqun
Published: November 2023

The cathodic two‐electron (2e−) oxygen reduction reaction (ORR) has garnered much attention for electrosynthesis of hydrogen peroxide (H2O2). The transition metal single‐atom catalysts (SACs) with tunable geometry structure and electron layout have displayed promising potential in this process. Notably, atomically dispersed Fe−based electrocatalysts have been recognized as high‐activity yet poor‐selectivity catalysts in 2e− ORR due to the high binding energy with the intermediates to break the peroxy bond into H2O. In this Concept, we briefly review the Fe SAC in 2e− ORR for H2O2 production by introducing their fundamental mechanism, chemical process, experimental advancements, and practical applications. The issues encountered and corresponding suggestions are discussed. The customized and tailored isolated Fe motif could fulfill the high activity, selectivity and stability system for H2O2 synthesis.
Stimuli‐Responsive Boronate Formation to Control Nucleic Acid‐Based Functional Architectures
Authors: Smietana Michael , Müller Sabine
Published: November 2023

Boronate esters, formed by the reaction of an oligonucleotide bearing a 5′‐boronic acid moiety with the 3′‐terminal cis‐diol of another oligonucleotide, support the assembly of functional nucleic acid architectures. Reversible formation of boronate esters occurs in templated fashion and has been shown to restore the activity of split DNA and RNA enzymes as well as a split fluorescent light‐up aptamer. Apart from their suitability for the design and application of split nucleic acid enzymes and aptamers in the field of biosensing, boronate esters may have played an important role in early life as surrogates of the natural phosphodiester bond. Their formation is reversible and thus fulfills an important requirement for biological self‐assembly. Here we discuss the general concept of stimuli‐dependent boronate formation and its application in biomolecules with implications for future research.
Efficacy and safety of ibuprofen gargle for postoperative pain after mandibular third molar extraction: A phase II, placebo‐controlled, double‐blind, randomized crossover trial
Authors: Ioroi Takeshi , Kakei Yasumasa , Ito Takahiro , Shirai Tatsuya , Okazaki Yutaro , Hasegawa Takumi , Akashi Masaya , Yano Ikuko
Published: November 2023

Objective

This study was designed to evaluate the postoperative efficacy and safety of using an ibuprofen gargle as a pain management strategy for patients who have undergone mandibular third molar extraction. We also ensured that the quality of treatment was not compromised throughout the study.

Material and Methods

Patients were randomized in a 1:1 ratio into two groups: the ibuprofen–placebo (IP) group and the placebo–ibuprofen (PI) group. On postoperative Day (POD) 1, the IP group initiated ibuprofen administration, while the PI group started taking placebo. On POD 2, the IP group switched to using placebo, whereas the PI group switched to ibuprofen. From PODs 3–5, both groups were prescribed ibuprofen gargle. The primary endpoint was within‐subject visual analog scale (VAS) score before and 5 min after the first use of the ibuprofen or placebo gargle on PODs 1 and 2 (ΔVAS5_ibuprofen − ΔVAS5_placebo). The incidence and severity of adverse events were assessed using the Common Terminology Criteria for Adverse Events version 5.0 and a subjective rating scale.

Results

This study enrolled 40 patients. The within‐subject VAS5 of the IP and PI groups were 1.25 ± 12.0 and −5.26 ± 8.93 mm, respectively. The treatment effect of ibuprofen gargle was −2.01 ± 10.62 mm (p = .246). None of the patients in each group presented with serious adverse events or clinically significant complications (including dry sockets) after extraction. Transient adverse events, such as throat tingling and oral discomfort (grade 1), were observed in each group.

Conclusion

Ibuprofen gargle was safe but did not provide significant pain relief when used after mandibular third molar extraction.
Energy–exergy analysis for performance improvement of Brayton–Rankine combined cycle system by utilizing a solar absorption refrigeration cycle (case study: Kahnuj Combined Cycle Power Plant)
Authors: Esfandiari Moslem , Pourfayaz Fathollah , Kasaeian Alibakhsh , Gholami Ali
Published: November 2023

Gas–steam combined cycle power plants are the most efficient electricity‐generation units based on fossil fuels. However, these power plants are prone to efficiency decrease in hot climates as high ambient temperatures adversely influence the gas turbine's output. The present study investigated the effect of incorporating a solar absorption refrigeration (SAR) system into an actual combined cycle power plant for the first time. First, the energy and exergy analyses were performed using THERMOFLOW software. Then, the influence of the ambient temperature (10°C–52.5°C) on the power plant's performance and its components was investigated. The SAR system was then used to cool the compressor's input air and improve the power generation capacity by employing TRNSYS software. The results showed that the power plant reached its maximum efficiency at an ambient temperature of 26.6°C. However, its overall efficiency and net power generation were dropped with a further increase in the ambient temperature. Employing the SAR system for each gas turbine in the power plant on a sunny day until 2 p.m. would decrease the compressor's input air temperature. For example, for the refrigeration capacities of 450, 700, and 1000 tons for each gas turbine, the temperature was reduced by nearly 3°C, 5°C, and 7°C, respectively. Under the same condition, power generation capacity improved by 12.5, 24, and 32.5 MW, and the overall efficiency rose by 0.6%, 1.4%, and 2%. Such an increase in power and efficiency occurred during peak demand, which was significant.
Opportunities, challenges, and state of the art of flexible heat‐pipe heat exchangers: A comprehensive review
Authors: V. K. Nithin
Published: November 2023

Heat pipes (HPs) play a pivotal role in efficiently managing the thermal challenges posed by high heat flux devices. To facilitate their operation at extremely low temperatures, specialized working fluids with low‐boiling points are a necessity. HPs serve as efficient heat exchanger (HEX) in diverse applications, such as heat pumps and heat‐transfer components. In the realm of space applications, HP is indispensable for cooling electronic components within two‐phase thermal control systems. Notably, the recent significant reduction in HP production costs has paved the way for synergizing HP with HEX, promising substantial energy savings. This comprehensive review centers its focus on the advancements in HEX‐based flexible HP systems. It critically evaluates various performance models and investigates key findings from a multitude of literature papers that pertain to HEX applications. The review encompasses a wide spectrum of innovations, including conventional, pulsating, and thermosyphons (gravity‐assisted) in HEX. It further explores studies on recuperative and regenerative HEX configurations. The surveyed literature underscores the critical role played by the choice of operating fluid and heat load in significantly influencing HP performance. This study offers a comprehensive understanding of key outcomes, strengths, limitations, and specific applications of HP and HEX. The review also highlights the significance of operating fluid selection and considerations related to heat load while outlining exciting opportunities for future research in this domain. Moreover, it introduces several novel concepts for future studies in pertinent domains, offering promising directions for further exploration within this field.
Characterization of isomeric acetyl amino acids and di‐acetyl amino acids by LC/MS/MS
Authors: Ramunaidu Addipilli , Pavankumar Pallerla , Ragi Nagarjunachary , Ramesh Rodda , Jagannatham Medicharla V. , Sripadi Prabhakar
Published: November 2023

Acetylation of amino acids is important in the molecular biology and biochemistry because they are part of several metabolic pathways. N‐acetyl amino acids can form through degradation of N‐acetyl proteins or direct acetylation of amino acids by specific enzymes. Acetylation of α‐amino acids can be either on the alpha –NH2 or on the side‐chain functional group, where both the acetyl products are isomeric and can show different biological roles. Theoretically, all proteinogenic α‐amino acids are expected to undergo acetylation and they can be a part of metabolome. Thus, it is essential to detect and identify all the possible acetylated products of α‐amino acids for untargeted metabolomics studies. In this study, it is aimed to synthesize and characterize all acetylated products of natural α‐amino acids. A total of 20 Nα‐acetyl amino acids (1–20), six side‐chain acetyl amino acids (21–26), and six diacetyl amino acids (27–32) were synthesized and characterized by liquid chromatography‐electrospray ionizationtandem mass spectrometry (LC–ESI–MS/MS). The [M + H]+ ions of all the acetyl amino acids were subjected to MS/MS experiments to obtain their structural information. Apart from the expected loss of (H2O + CO) (immonium ions), most of the acetyl amino acids specifically showed loss of H2O and loss of a ketene (C2H2O) from [M+H]+ ions. The side‐chain acetyl amino acids showed a clear‐cut structure specific fragment ions that enabled easy differentiation from their isomeric Nα‐acetyl amino acids. The other isomeric/isobaric acetyl amino acids could also be easily distinguished by their MS/MS spectra. The MS/MS of immonium ions of the acetyl amino acids were also studied, and they included characteristic products reflecting the structures of parent Nα‐acetyl and side‐chain acetyl amino acids.
Deep residual network for soil nutrient assessment using optical sensors
Authors: Lincy C. T. , Lenin Fred A. , Jalbin J.
Published: November 2023

Background

Farmers need information regarding soil fertility at every location of their fields to attain a higher level of precision in nutrient management. Nonetheless, the acquisition and processing of soil samples are labor‐intensive and time‐utilizing, and the related cost remains high‐priced to farmers. Artificial intelligence is the most speedily growing area combined into approximately all aspects of human life. Soil macronutrients like nitrogen (N), phosphorous (P), and potassium (K) have a significant role in precision agriculture. There is a huge need for powerful and rapid measurement systems to measure accurately the macronutrients in the soil for optimal crop productivity, especially in site‐specific crop management system, where the application of fertilizer can be regulated spatially with respect to crop demand. Nevertheless, it can present a research direction to design an advanced scheme in order to predict the properties of soil. A portable sensor device is a basic need of an agriculture system for the accurate and rapid monitoring of soil macronutrients.

Aim

In this research, the soil nutrients identified from the collected soil samples using optical sensors are evaluated for their accuracy using a deep learning approach.

Methods

A deep residual network is exploited for the soil nutrient prediction after augmenting the gathered soil data. Finally, various performance evaluation measures, like mean squared error (MSE), mean absolute error (MAE), and root mean squared error (RMSE), are calculated to detect how accurately the sensor predicted the soil nutrients.

Results

From the experimental analysis, it is stated that the proposed model attained low MSE value of 4.59 e−09, the low RMSE value of 6.78 e−05, and the low MAE value of 4.66 e−05 for N prediction. Likewise, the proposed model attained the least MSE value of 1.41 e−05, the least RMSE value of 0.0003, and the least MAE value of 0.0001 for P prediction.

Conclusion

Finally, for K prediction, the proposed model achieved the least MSE value of 1.54 e−06, least RMSE value of 1.24 e−03, and the least MAE value of 1.38 e−05.
Cyclic utilization rates of the FKM guidelines: Definition and proposal of an efficient iteration procedure
Authors: Fiedler M. , Weichert J. , Rennert R.
Published: November 2023

Die 2019 erschienene FKM‐Richtlinie nichtlinear enthält aktuell noch keine Definition für einen zyklischen Auslastungsgrad in Lastrichtung. Grund hierfür ist unter anderem das nichtlineare Materialverhalten, das die Berechnung eines Auslastungsgrades in Lastrichtung erschwert. Um die Definition eines zyklischen Auslastungsgrades zu ermöglichen, wird zunächst der zyklische Auslastungsgrad nach der FKM‐Richtlinie Rechnerischer Festigkeitsnachweis genauer untersucht und ein Vorschlag für ein effizientes Iterationsverfahren für die Berechnung des Auslastungsgrades basierend auf der konsequenten Miner‐Regel gemacht. Dabei kann gezeigt werden, dass dieses Iterationsverfahren eine vergleichbare Treffsicherheit wie das Newton‐Verfahren aufweist. Anders als der Rechnerische Festigkeitsnachweis berücksichtigt die FKM‐Richtlinie nichtlinear bei der Berechnung der Bauteillebensdauer elastisch‐plastisches Materialverhalten. Dadurch entsteht eine Nichtlinearität in der Berechnung, die eine Definition einer Zielfunktion für das Newton‐Verfahren schwierig macht. Dem Anwender bleibt hier aktuell nur der Weg einer Intervallschachtelung, die jedoch mit erheblichem Rechenaufwand verbunden ist. Das neu eingeführte effiziente Iterationsverfahren benötigt hingegen nicht die Definition einer Zielfunktion und deren Ableitung, um den nächsten Iterationswert zu berechnen. Die Einführung des effizienten Iterationsverfahrens ermöglicht so erstmalig die schnelle Berechnung eines zyklischen Auslastungsgrades nach der FKM‐Richtlinie nichtlinear, der innerhalb dieses Beitrages definiert und für den ein Abbruchkriterium empfohlen wird.
Prediction of mechanical properties of dental composite materials using machine learning algorithms
Authors: Suryawanshi A. , Behera N.
Published: November 2023

The durability of dental materials, when used in the mouth, is determined by their mechanical qualities. Composite resins are frequently used in dental restorations. Flexural tests and Vickers micro‐hardness tests on selected dental composite materials were performed in a universal testing machine (ASTM D790‐10 standard) and Vickers micro‐hardness tester (ASTM E384‐11e1standard). In this study, four different dental composite material samples are employed. The samples are dipped in a chewing tobacco solution for a few days before being removed and put through the tests. Also in this work, four different machine learning models were tested to see how well they could analyze the mechanical characteristics of dental composite materials when submerged in a chewing tobacco solution. For predicting the mechanical properties of dental composite specimens, four distinct machine‐learning models (extreme gradient boosting (XGBoost), adaptive boosting (AdaBoost), random forest, and k‐nearest neighbors (KNN) have been selected. AdaBoost machine learning model yields a coefficient of regression value of 0.9903 in predicting the flexural strength, whereas the XGBoost model gives a coefficient of regression value of 0.9890 in predicting the Vickers hardness distinctly better than the other models.
Design and characterization of novel iron‐based amorphous brazing foils based on thermodynamic predictions
Authors: Bobzin K. , Heinemann H. , Erck M. , Stryzhyboroda O. , Vinke S.
Published: November 2023

Amorphous brazing foils facilitate the brazing process due to their high flexibility. Nickel‐based amorphous brazing foils are already in industrial use. However, as the raw material price for nickel is continuously increasing, more cost‐efficient iron‐based amorphous brazing foils are currently the focus of research. In this study, three alloys in the quinary system iron‐nickel‐chrom‐silicon‐boron will be investigated, which, according to previous predictions of newly developed thermodynamic databases, should exhibit an increased glass forming ability. The production and the characterization of the new iron‐based foils will in turn serve to validate the newly developed thermodynamic databases. With one of the alloys, a new iron‐based partly amorphous brazing foil can successfully be produced, but the other two alloys are too brittle for the brazing process. The results of this study not only show that the newly developed thermodynamic database of the quinary iron‐nickel‐chrome‐silicon‐boron alloy system can provide suitable prediction on the microstructure and melting behavior of the corresponding alloys, but also that it is possible to produce a quaternary iron‐based partly amorphous foil.
Spektroskopie: Im nahen Infrarot
Authors: Ehrensberger Christian
Published: November 2023

Es sind zwei Systeme auf dem Markt, die Ausgangsstoffe mit Nahinfrarotspektroskopie prüfen. Damit spart ein Apothekenlabor nasschemische Analysen. Auch Anwendungen in der Industrie oder bei deren Dienstleistern sind denkbar.
Batterien: Fabriken für bessere Speicher
Authors: Bulmahn Maren
Published: November 2023

Batteriezellen herzustellen erfordert viel Energie. Produktionsprozesse und Zelldesign müssen sich ändern, um diese Menge zu verringern.
Materialchemie: Für die Prothesen der Zukunft
Authors: Tratter Anna
Published: November 2023

Künstliche Muskeln helfen bislang nur Robotern, sich zu bewegen. Diese elektrohydraulischen Aktuatoren könnten auch Menschen unterstützen, etwa bei Krankheit oder im Alter. Nun sind sie sogar kompostierbar.
SusChemSys: ein lebendiges Netzwerk für nachhaltige Chemie
Authors: Sackers Nina
Published: November 2023

Ein interdisziplinäres Netzwerk an der Schnittstelle zwischen Chemie und Verfahrenstechnik begleitet die Ausbildung ausgewählter Doktorand:innen, die an zehn Forschungseinrichtungen und Hochschulen in Nordrhein‐Westfalen forschen. Partner sind Industrieunternehmen; gemeinsame Basis ist Green Chemistry.
Nachruf: Hans Sillescu (1936 – 2023)
Authors: Antonietti Markus , Bartsch Eckhard , Saalwächter Kay , Schärtl Wolfgang , Spiess Hans Wolfgang , Völkel Rüdiger
Published: November 2023

Als physikalischer Chemiker erforschte Hans Sillescu dynamische Prozesse in Flüssigkeiten und Polymeren. Ebenso war er ein Mensch von profunder Bildung in Philosophie und Literatur.
Prozesssicherheit: Pumpen fürs Herzstück einer Chemieanlage
Authors: Anstöter Stefan
Published: November 2023

Pumpen sind Schlüsselkomponenten chemischer Prozesse und beeinflussen die Sicherheit der gesamten Anlage. Wie Doppelmembranpumpen Leistungsfähigkeit und Ausfallschutz verbessern.
Standardizing vitamin D supplementation to minimize deficiency in children with intestinal failure
Authors: Zhong Jade , Martins Debby S. , Piper Hannah G.
Published: November 2023

Background

Vitamin D deficiency is present in 40%–70% of children with intestinal failure (IF), yet there are no published guidelines for repleting and maintaining vitamin D levels in this population. The purpose of this study is to evaluate the efficacy of a standardized vitamin D algorithm in reducing the incidence of deficiency.

Methods

A retrospective chart review was performed in children with IF who had at least one serum vitamin D (25‐hydroxyvitamin D3) measurement. Vitamin D levels were compared prealgorithm (2014–2016) and during active‐algorithm use (2018–2020). Vitamin D levels were classified as severe deficiency (<12.5 nmol per L), mild deficiency (12.5–39 nmol/L), insufficiency (40–74 nmol/L), optimal (75–224 nmol/L), or toxicity (>225 nmol/L). Descriptive and comparative statistics were calculated using a linear mixed‐effects model, with P < 0.05 considered significant.

Results

Twenty‐eight children with IF were enrolled, which included 157 vitamin D measurements (58 in the prealgorithm group and 98 in the active‐algorithm group). Algorithm compliance was 4% in the prealgorithm group and 61% in the active‐algorithm group. Active‐algorithm patients had improved vitamin D levels in all categories compared with those of prealgorithm patients (mild deficiency: 8% vs 9%; insufficiency: 41% vs 72%; optimal: 50% vs 19%). Algorithm use was found to have a statistically significant effect on serum vitamin D levels (β = 21.58; 95% confidence interval, 14.11–29.05; P < 0.005).

Conclusions

Children with IF are at high risk for vitamin D deficiency. Use of a standardized vitamin D supplementation algorithm was associated with increased serum vitamin D levels.
Effect of vitamin A on maternal, fetal, and neonatal outcomes: An overview of deficiency, excessive intake, and intake recommendations
Authors: Ishaq Muhammad Umer , Kunwar Digbijay , Qadeer Abdul , Komel Aqsa , Safi Adnan , Malik Aqsa , Malik Linta , Akbar Anum
Published: November 2023

Vitamin A imbalance during pregnancy and lactation is a global public health concern with potentially negative consequences for fetuses and neonates. Inadequate vitamin A intake during this critical period can lead to anemia, weakened immune function, night blindness, and increased susceptibility to infections. Conversely, excessive intake of vitamin A can result in birth defects, hypercalcemia, and psychiatric symptoms. This review aims to identify risk factors contributing to vitamin A deficiency in pregnant women and its impact on maternal, fetal, and neonatal outcomes. It also examines the effects of high‐dose vitamin A supplementation during pregnancy on offspring health. By analyzing existing literature and recommendations, the review emphasizes the significance of vitamin A in the development of various body systems and organs. It provides a comprehensive overview of the effects of vitamin A during pregnancy and lactation, encompassing deficiencies, excessive intake, and supplementation guidelines. The need for further research in this field is highlighted. In conclusion, maintaining a balanced vitamin A status is crucial during pregnancy to promote better outcomes for fetuses and newborns. Effective monitoring and intervention strategies are essential to address vitamin A deficiency and excess in pregnant women, thereby improving fetal and neonatal health.
Influence of a biodegradable contaminant on the mechanical recycling of a low‐density polyethylene sample
Authors: Titone Vincenzo , Botta Luigi , Mistretta Maria Chiara , La Mantia Francesco Paolo
Published: November 2023

Mechanical recycling of oil‐derived polymers is certainly our best option to reduce pollution, save raw materials, and protect ourselves and the environment from the adverse effects of waste disposal. However, the presence of contaminants, including other types of plastics, that are mixed in during the recycling collection process or during the mechanical waste sorting stage could adversely affect the quality of the recycled product, leading to the recycling of a poor‐quality secondary material. In this work, the influence of a biodegradable contaminant on the mechanical recycling of a low‐density polyethylene (LDPE) sample was investigated by rheological (shear and non‐isothermal elongation) and mechanical analyses. The results showed that 2% of the contaminant is able to influence the rheological, shear, and isothermal elongation properties of recycled LDPE, while the results of the mechanical tests showed that after one extrusion cycle, the main tensile properties were not significantly affected by the presence of the contaminant, but after only two cycles of extrusions, some significant reduction in the final properties began to appear. In short, the presence of 2% of a biodegradable co‐polyester in a LDPE matrix gives rise to a more pronounced decay of the rheological and mechanical properties, but, after two extrusion steps, both rheological and mechanical properties seem still useful for the production of film.

Highlights

To what extent the contaminant affects the quality and usability of the recycled LDPE;

The effects of contamination on the LDPE sample during the recycling process;

Reduction in properties, compromising product quality;

Compromised product quality after only two additional processing steps;

Important implications for the recycling industry.
Replicability of the five‐factor structure of DSM‐5 and ICD‐11 trait systems and their associations with binge eating and bipolar spectrum psychopathology
Authors: Vaysi Anis , Nazarpour Parisa , Kiani Zhaleh , Maleki Mahtab , Hamzehei Maryam , Amianto Federico , Sellbom Martin , Komasi Saeid
Published: November 2023

Since the research on contemporary personality models—and psychopathology—mainly originate from the Western world, we aimed to test the factorial structure of two trait systems assessed with the Personality Inventory for DSM‐5 (PID‐5) in a non‐Western sample and to compare the extracted models' relative associations with binge eating disorder (BED) and bipolar spectrum disorder (BSD) symptoms. A community sample (N = 516; 72% female) was administered the PID‐5, which can operationalize both the DSM‐5 and ICD‐11 systems. The factor structures of both systems were tested using exploratory structural equation modeling (ESEM). The congruence coefficients of all factor loadings with international studies were calculated. The Binge Eating Scale (BES), Bipolar Spectrum Diagnostic Scale (BSDS), and Hypomania Checklist‐32‐Revised (HCL‐32) were used to measure the criterion variables. Linear regression models were used for comparing the DSM‐5 and ICD‐11 systems in predicting the BED and BSD. The findings supported five‐factor solutions for both trait systems. Both systems significantly predicted dimensional measures of both BED and BSD (all p < 0.001). The present findings support an acceptable five‐factor structure for both personality systems in the non‐Western sample. Different algorithms of maladaptive domains on both systems are related to binge eating and bipolar spectrum psychopathology.
Exposure and resistance to anticoagulant rodenticides in invasive and endemic Chadian urban rodent species to develop a rational management strategy
Authors: Mahamat Ali Barka , Groud Karine , Djibrine Soudy Imar , Soro Sionfoungo Daouda , Fourel Isabelle , Rached Antoine , Chatron Nolan , Benoit Etienne , Lattard Virginie
Published: November 2023

Rodent management involves the use of anticoagulant rodenticides (ARs). This use has resulted in the selection of numerous resistance alleles in the Vkorc1 gene, encoding the target enzyme of ARs. In Africa, although rodents are a major problem as a consequence of their transport and transmission of zoonotic pathogens, and damage to crops, the use of ARs and the spread of resistance alleles are poorly documented. We attempted to address both issues in Chad which is one of the largest countries in Africa. Owing to its location at the crossroads of central and northern Africa, Chad is representative of many African countries.

Methods

Using a sampling of nearly 300 rodents composed of invasive and endemic rodents collected in six of Chad's largest cities, exposure to ARs was analyzed by their quantification in the liver; the spread of AR resistance alleles was analyzed by Vkorc1 sequencing.

Results

We demonstrate the use of both ARs generations in Chadian cities and report the total sequencing of the Vkorc1 for 44 Mastomys natalensis with detection of two different haplotypes, the sequencing of the Vkorc1 for two other endemic rodent species, M. kollmannspergeri and Arvicanthis niloticus, and finally the detection of three new missense mutations – V29E, V69E and D127V – in R. rattus, potentially associated with resistance to ARs.

Discussion

These results should argue for the implementation of a reasoned management of rodent populations in Africa to avoid the spread of ARs resistance alleles. © 2023 The Authors. Pest Management Science published by John Wiley & Sons Ltd on behalf of Society of Chemical Industry.
“We Can Draw and Think About It Ourselves”: Putting Culture and Race in Phonics Reading Research
Authors: Lawson Amber
Published: November 2023

Young children of Color from minoritized communities can co‐author decodable stories using phonics skills they have been taught, their lived experiences, and home languages, including nondominant English languages, to develop decoding skills using student‐generated decodable readers. While traditional and curricular decodable readers are used during phonics instruction to support children's decoding development, they are written in White Mainstream English and may include diverse characters with experiences more familiar to the White dominant group of American society. Because there is a population of readers experiencing a gap between their identities and phonics instruction, there is an urgent need for their experiences to be improved. Building on my experiences as a primary grades teacher and researcher, I discuss a quantitative and qualitative study conducted in an urban second grade classroom where children of Color and I put culture and race into phonics instruction. Culturally relevant education and the language experience approach were used to advance children's decoding development using their funds of knowledge and existing language experiences which are often a part of their racial identities. By combining these approaches with co‐authorship, children of Color from minoritized communities were placed at the center of phonics instruction to receive more equitable educational opportunities while advancing their decoding skills as co‐authors of their decodable stories.