bluuebunny/crossref_metadata_2025 huggingface dataset:
Simulated impacts of winter rye cover crop on continuous corn yield and soil parameters
Authors: Birru Girma , Shiferaw Andualem , Tadesse Tsegaye , Schmer Marty R. , Jin Virginia L. , Wardlow Brian , Koehler‐Cole Katja , Awada Tala , Beebout Sarah , Tsegaye Teferi , Kahrel Tulsi
Published: January 2023

Cover crops (CC) provide numerous ecosystem services such as improving soil health, reducing nutrient loss, increasing productivity, and mitigating greenhouse gas emission. However, adoption of CC has been hindered by perceived negative impacts on main crop productivity and additional production costs. This is partly attributed to the gap in current state of knowledge in CC and its interaction with main crop production under different biophysical conditions. In this study, Decision Support System for Agrotechnology Transfer model was used to evaluate the long‐term impact of cereal rye (Secale cereale L.) on corn (Zea mays L.) yield, soil organic carbon (SOC), nitrate leaching, soil water, and drainage for a range of climate, soil, and irrigation management in Eastern and Central Nebraska. A 30‐year (1991–2020) simulation showed no difference in corn yield and SOC between CC and no‐cover crop treatments at both sites under irrigated and rainfed conditions. However, CC resulted in reduction of N loss by up to 48% at the Eastern Nebraska Research and Extension Center and 24% at South Central Agricultural Laboratory under irrigation. Cereal rye has no significant effect on total soil water but, a significant reduction in cumulative subsurface drainage of 44% was determined at both sites. This study has shown the possible effect of cover crop on corn crop yield and soil properties over different regions in Nebraska. Future research extending the scope and geographic area is needed to test and quantify possible impacts of multiple CC species under diverse management and biophysical conditions.
Tomato leaf diseases classification using image processing and weighted ensemble learning
Authors: Javidan Seyed Mohamad , Banakar Ahmad , Vakilian Keyvan Asefpour , Ampatzidis Yiannis
Published: January 2023

In ensemble methods, multiple base classifiers with different performances are used to increase classification accuracy. This study proposes a novel weighted majority voting ensemble approach to classify red green blue images to identify the bacterial spot, late blight, leaf mold, sectorial leaf spot, target spot, early blight, and healthy tomato leaves. Color, textural, and shape features of the images were extracted to be used as inputs for base classifiers, followed by selecting the effective features using the relief method to increase the prediction performance. Six machine learning methods, that is, support vector machine, decision tree, random forest, k‐nearest neighbors, naïve Bayes, and discriminative analysis, were used as base classifiers, which resulted in 89.81%, 79.81%, 91.53%, 85.91%, 44.42%, and 82.84% accuracies, respectively. Then, simple majority and weighted majority voting ensemble methods were utilized to improve disease classification, the accuracies of which were 93.49% and 95.58%, respectively. The performance of the proposed method was compared with that of two well‐known deep learning methods, namely GoogLeNet and AlexNet, which exerted poor results. The findings of this study showed that the proposed framework based on weighted majority voting outperformed the base machine learning models in classifying tomato diseases.
Protein assembly: Controllable design strategies and applications in biology
Authors: Li Yijia , Tian Ruizhen , Shi Haolu , Xu Jiayun , Wang Tingting , Liu Junqiu
Published: January 2023

Protein assembly is the structural basis for the collaboration between proteins to accomplish life activities due to its realization of the domain‐limited and precise spatial arrangement of proteins. Therefore, artificial manipulation of protein self‐assembly has profound implications in areas such as exploring the mysteries of life and developing biomaterials. In this review, we not only summarize the classical assembly strategies and the structures of exquisite protein assemblies, but also aim to generalize the flexible and controllable assembly tools and the “interaction” between the assembled protein‐based materials and the external environment. On the basis of this, the application, challenges and further development of protein assembly in biology are reviewed.
Aromatic compounds‐mediated synthesis of anatase‐free hierarchical TS‐1 zeolite: Exploring design strategies via machine learning and enhanced catalytic performance
Authors: Wang Chang'an , An Guoqing , Lin Jing , Zhang Xiaowei , Liu Zhiyuan , Luo Yibin , Liu Siqi , Cheng Zhixiang , Guo Tingting , Gao Hongyi , Wang Ge , Shu Xingtian
Published: January 2023

Simultaneous achievement of constructing mesopores and eliminating anatase is a long‐term pursuit for enhancing the catalytic performance of TS‐1. Here, we developed an aromatic compounds‐mediated synthesis method to prepare anatase‐free and hierarchical TS‐1 for olefin epoxidation. A series of hierarchical TS‐1 zeolites were prepared by introducing aromatic compounds containing different functional groups via the crystallization process. The formation of intercrystalline mesopores and insertion of titanium into framework were facilitated at different extent. The synergistic coordination of carboxyl and hydroxyl in aromatic compounds with Ti(OH)4 realizes the uniform distribution of titanium species and eliminates the generation of anatase. Noteworthily, eight machine learning models were trained to reveal the mechanism of additive functional groups and preparation conditions on anatase formation and microstructure optimization. The prediction accuracy of most models can reach more than 80%. Benefiting from the larger mesopore volumes (0.37 cm3·g−1) and higher content of framework Ti species, TS‐DHBDC‐48h samples exhibit a higher catalytic performance than other zeolites, giving 1‐hexene conversion of 49.3% and 1,2‐epoxyhenane selectivity of 99.9%. The paper provides a facile aromatic compounds‐mediated synthesis strategy and promotes the application of machine learning toward the design and optimization of new zeolites.
Parameter estimation and prediction uncertainties for multi‐response kinetic models with uncertain inputs
Authors: Abdi Kaveh , Celse Benoit , McAuley Kimberley B.
Published: January 2023

Error‐in‐variables model (EVM) methods are used for parameter estimation when independent variables are uncertain. During EVM parameter estimation, output measurement variances are required as weighting factors in the objective function. These variances can be estimated based on data from replicate experiments. However, conducting replicates is complicated when independent variables are uncertain. Instead, pseudo‐replicate runs may be performed where the target values of inputs for repeated runs are the same, but the true input values may be different. Here, we propose a method to estimate output‐measurement variances for use in multivariate EVM estimation problems, based on pseudo‐replicate data. We also propose a bootstrap technique for quantifying uncertainties in resulting parameter estimates and model predictions. The methods are illustrated using a case study involving n‐hexane hydroisomerization in a well‐mixed reactor. Case‐study results reveal that assumptions about input uncertainties can have important influences on parameter estimates, model predictions and their confidence intervals.
A 5 cm‐Scale Piezoelectric Jetting Agile Underwater Robot
Authors: Li Kai , Zhou Xianxin , Liu Yingxiang , Sun Jianhua , Tian Xinqi , Zheng Haoyuan , Zhang Lu , Deng Jie , Liu Junkao , Chen Weishan , Zhao Jie
Published: January 2023

Existing miniature underwater robots, which use electromagnetic actuators or soft actuators, function in shallow waters. However, in the deep sea, the robots face challenges, such as the miniaturization of the pressure protection unit and the driving method for rapid and agile motions. Herein, a jet‐driven method for a high‐pressure underwater environment is proposed by utilizing the high‐frequency vibration of a piezoelectric vibrator. Thereafter, an antihydropressure miniature robot with a body length of less than 5 cm is designed, which can perform the highly agile actions of floating, sinking, hovering, straight driving, and turning under a water pressure of 20 MPa (equal to the pressure under a water depth of 2000 m). A vertical velocity of 2.95 BH/s and a horizontal velocity of 3.22 BL/s are realized by the prototype, and it achieves faster motions than existing miniature underwater robots. Some potential applications have been realized, including small multicorner pipe exploration by carrying a camera, seaweed epidermal cell sampling in designated areas, and large object transportation by swarming, which proves the high maneuverability and agility of the developed robot. These merits make the robot ideal for multitasking operations in narrow environments with high water pressure, such as multiobstacle seabed.
Intelligent Insect–Computer Hybrid Robot: Installing Innate Obstacle Negotiation and Onboard Human Detection onto Cyborg Insect
Authors: Tran-Ngoc Phuoc Thanh , Le Duc Long , Chong Bing Sheng , Nguyen Huu Duoc , Dung Van Than , Cao Feng , Li Yao , Kai Kazuki , Gan Jia Hui , Vo-Doan Tat Thang , Nguyen Thanh Luan , Sato Hirotaka
Published: January 2023

Developing small mobile robots for Urban Search and Rescue (USAR) is a major challenge due to constraints in size and power required to perform vital functions such as obstacle navigation, victim detection, and wireless communication. Drawing upon the idea that insects’ locomotion can be controlled, what if we further utilize the insects’ intrinsic ability to avoid obstacles? Herein, a cockroach hybrid robot (≈ 1.5 cm height, 5.7 cm length) that implements the abovementioned functions is developed. It is tested in an arena with randomly placed obstacles, and a motion capture system is used to track the insect's position among the untracked obstacles. A navigation algorithm that uses an inertial measurement unit (IMU) is developed to heuristically predict the insect's situation and stimulate the insect to escape nearby obstacles. The utilization of insect's intrinsic locomotor ability and low‐powered IMU reduces the onboard power load, allowing the addition of a human‐detecting function. An image classification model enables the use of an onboard low‐resolution infrared camera for human detection. Consequently, a single hybrid robot is established that includes locomotion control, autonomous navigation in obstructed areas, onboard human detection, and wireless communication, representing a significant step toward real USAR application.
Exploring Electrical Conductivity of Thiolated Micro‐ and Nanoparticles of Gallium
Authors: Chiu Shih-Hao , Baharfar Mahroo , Chi Yuan , Widjajana Moonika Sari , Cao Zhenbang , Allioux Francois-Marie , Tang Jianbo , Rahim Md. Arifur , Kalantar-Zadeh Kourosh
Published: January 2023

Nano‐/microparticles of gallium (Ga), as a low‐melting‐point metal, are extensively used in the fields of soft electronics and sensors to provide thermal and electrical conductivity. However, a passivating oxide layer can be formed on the surface of Ga nano‐/microparticles during the synthesis process. This oxide layer is removed by a secondary sintering step, especially mechanical sintering, which is generally not a controllable process, and compromises the integrity of the system. Herein, thiol molecules, 1‐butanethiol, thiophenol, and 4‐mercaptopyridine, that can functionalize the surface of Ga via sonication to reduce the oxidation of Ga surface are used. The resulting particles exhibit electrical conductivity based on metal–molecule junctions without the requirement for a sintering step. In particular, 4‐mercaptopyridine functionalized, thiolated Ga particles exhibit higher electrical conductivity compared to the other three thiolated Ga systems as the organic material conjugation provides conductive pathways for the mix. Subsequently, using these particle systems, soft devices are developed that can be used for gas, exhalation, and flex sensing. This study provides insights into the possibility of creating combinations of organic molecules with liquid metal‐based nano‐/microparticles to generate electrically conductive mixes and the prospects of fabricating multifunctional sensors.
Revisiting phylogeny, systematics, and biogeography of a Pleistocene radiation
Authors: Romeiro‐Brito Monique , Khan Gulzar , Perez Manolo F. , Zappi Daniela C. , Taylor Nigel P. , Olsthoorn Gerardus , Franco Fernando F. , Moraes Evandro M.
Published: January 2023

Premise

Pilosocereus (Cactaceae) is an important dry forest element in all subregions and transitional zones of the neotropics, with the highest diversity in eastern Brazil. The genus is subdivided into informal taxonomic groups; however, most of these are not supported by recent molecular phylogenetic inferences. This lack of confidence is probably due to the use of an insufficient number of loci and the complexity of cactus diversification. Here, we explored the species relationships in Pilosocereus in more detail, integrating multilocus phylogenetic approaches with the assessment of the ancestral range and the effect of geography on diversification shifts.

Methods

We used 28 nuclear, plastid, and mitochondrial loci from 54 plant samples of 31 Pilosocereus species for phylogenetic analyses. We used concatenated and coalescent phylogenetic trees and Bayesian models to estimate the most likely ancestral range and diversification shifts.

Results

All Pilosocereus species were clustered in the same branch, except P. bohlei. The phylogenetic relationships were more associated with the geographic distribution than taxonomic affinities among taxa. The genus began diversifying during the Plio‐Pleistocene transition in the Caatinga domain and experienced an increased diversification rate during the Calabrian age.

Conclusions

We recovered a well‐supported multispecies coalescent phylogeny. Our results refine the pattern of rapid diversification of Pilosocereus species across neotropical drylands during the Pleistocene and highlight the need for taxonomic rearrangements in the genus. We recovered a pulse of diversification during the Pleistocene that was likely driven by multiple dispersal and vicariance events within and among the Caatinga, Cerrado, and Atlantic Forest domains.
Novel noncanonical splice site variant causes mild CHD7‐related disorder with variable intrafamilial expressivity
Authors: Boschann Felix , Kosmehl Sabine , Bloching Marc , Grünhagen Johannes , Hildebrand Gabriele , Horn Denise , Lyutenski Stefan
Published: January 2023

The clinical diagnosis criteria for CHARGE syndrome have been revised several times in the last 25 years. Variable expressivity and reduced penetrance are known, particularly in mild and familial cases. Therefore, it has been proposed to include the detection of a pathogenic CHD7 variant as a major diagnostic criterion. However, intronic variants not located at the canonical splice site are still underrepresented in mutation databases, often because functional analysis is not performed in the diagnostic setting. Here, we report a two‐generation family that did not meet the criteria for CHARGE syndrome, until the molecular findings were taken into account. By exome sequencing, we detected an intronic variant in a male individual, who presented with unilateral external ear malformation, bilateral semicircular canal aplasia, polydactyly, vertebral body fusion and a heart defect. The variant was inherited by his mother, who also had bilateral semicircular canal aplasia additionally to unilateral sensorineural hearing impairment, unilateral mandibular palpebral synkinesia, orofacial cleft, and dysphagia. Using RNA studies, we were able to demonstrate that aberrant splicing occurs at an upstream cryptic splice acceptor site, resulting in a frameshift and premature stop of translation. Our data show causality of the noncanonical intronic CHD7 variant and end the diagnostic odyssey of this unsolved phenotype of the family.
Zwitterion‐Catalyzed Ring‐Opening of Epoxides with Carboxylic Acids
Authors: Qiang Shengsheng , Hu Rong‐Bin , Yeung Ying‐Yeung
Published: January 2023

1,2‐Diol mono‐esters are useful building blocks in various areas. Herein, we report an efficient zwitterion‐catalyzed epoxide ring‐opening with carboxylic acids to give 1,2‐diol monoesters. The catalytic protocol was applicable to a wide range of substrates. In addition, aziridine instead of epoxide could be used. The zwitterionic catalyst could be recycled by a simple aqueous extraction. The synthetic utilities of the 1,2‐diol monoesters have been demonstrated.
Emerging Strategies for Asymmetric Synthesis: Combining Enzyme Promiscuity and Photo‐/Electro‐redox Catalysis
Authors: Long Chao‐Jiu , He Yan‐Hong , Guan Zhi
Published: January 2023

As an emerging opportunity to expand the reactivity repertoire of enzymes to achieve unnatural transformations of enzymes in organic synthesis, enzyme promiscuity has attracted great interest in recent years. The combination of enzyme catalysis and photo‐/electro‐redox catalysis which can benefit from both the exquisite selectivity of enzymes and unique chemical transformations accessible to photo‐/electro‐chemistry has many advantages, such as new reactivity, high enantioselectivity, green synthesis, and high yields. In the past decades, most photoenzymatic catalysis and enzymatic electrosynthesis mainly focused on exploiting regenerated cofactors to function in native enzymatic activity. However, recent developments have demonstrated that combining enzyme promiscuity and photo‐/electro‐redox catalysis can unlock new asymmetric reactions. This minireview highlights these emerging strategies and covers the literature from 2016 to date. Furthermore, the future development direction of this field is prospected.
Scurvy in the tropics: Evidence for increasing non‐adult micronutrient deficiency with the transition to agriculture in northern Vietnam
Authors: Vlok Melandri , Oxenham Marc Fredrick , Domett Kate , Trinh Hiep Hoang , Minh Tran Thi , Mai Huong Nguyen Thi , Matsumura Hirofumi , Huu Nghia Truong , Nguyen Lan Cuong , Willis Anna , Buckley Hallie
Published: January 2023

Objective

Scurvy in non‐adults was assessed at the Pre‐Neolithic site of Con Co Ngua and the Neolithic site of Man Bac in northern Vietnam to investigate nutritional stress during the agricultural transition in Mainland Southeast Asia (MSEA).

Materials

One hundred and four human skeletons under the age of 20 years old were assessed.

Methods

Lesions were recorded macroscopically and radiographically. Differential diagnosis using prior established paleopathological diagnostic criteria for scurvy was conducted.

Results

There was no clear evidence for scurvy at Con Co Ngua and a high burden of scurvy was present at Man Bac (>79% diagnosed with probable scurvy). Scurvy levels were high across all non‐adult ages at Man Bac indicating significant burden throughout childhood and adolescence.

Conclusions

No scurvy at Con Co Ngua is consistent with widely available food sources at the peak of the Holocene thermal maximum. High levels of scurvy at Man Bac corresponds with decreased dietary diversity, high pathogen load, and increased population stress with the transition to agriculture around the time of the 4.2 ka desertification event.

Significance

This is the first systematic population‐level non‐adult investigation of specific nutritional disease in MSEA and demonstrates an increase in nutritional stress during the Neolithic transition in northern Vietnam.

Limitations

Subperiosteal new bone deposits can be due to normal growth in infants and young children, therefore, identification of scurvy in children under the age of 4 years needs to be considered critically.

Suggestions for Further Research

Further work in diagnosing specific nutritional disease in other non‐adult cohorts throughout MSEA is required.
An Apple a Day to Keep the Parkinson's Disease Doctor Away?
Authors: Bloem Bastiaan R. , Post Erik , Hall Deborah A.
Published: January 2023

It is challenging to reliably assess the motor features of Parkinson's disease in real‐time. This has motivated the search for new digital outcomes that can objectively and remotely measure the severity of parkinsonian motor impairments over an extended period of time. The United States Food and Drug Administration (FDA) has recently granted a 510(k) clearance to the Rune Labs Kinematics System, an ambulatory, smartwatch‐based monitoring system to remotely track tremor and dyskinesias in persons with Parkinson's disease. The FDA clearance means that this new digital approach can be regarded as being safe for use in daily practice, with acceptable correlations to clinically based measures. However, the immediate implications for clinicians are limited, because it remains to be demonstrated whether the digital signals correlate well to clinically meaningful outcomes at patient level. The impact on research is also restricted for now, as more validation studies are needed before this new digital approach can be used as primary or secondary endpoint in clinical trials. ANN NEUROL 2023;93:681–685
Mechanisms by Which Liposomes Improve Inhaled Drug Delivery for Alveolar Diseases
Authors: Ferguson Laura T. , Ma Xiaonan , Myerson Jacob W. , Wu Jichuan , Glassman Patrick M. , Zamora Marco E. , Hood Elizabeth D. , Zaleski Michael , Shen Mengwen , Essien Eno-Obong , Shuvaev Vladimir V. , Brenner Jacob S.
Published: January 2023

Diseases of the pulmonary alveolus, such as pulmonary fibrosis, are leading causes of morbidity and mortality, but exceedingly few drugs are developed for them. A major reason for this gap is that after inhalation, drugs are quickly whisked away from alveoli due to their high perfusion. To solve this problem, the mechanisms by which nano‐scale drug carriers dramatically improve lung pharmacokinetics using an inhalable liposome formulation containing nintedanib, an antifibrotic for pulmonary fibrosis, are studied. Direct instillation of liposomes in murine lung increases nintedanib's total lung delivery over time by 8000‐fold and lung half life by tenfold, compared to oral nintedanib. Counterintuitively, it is shown that pulmonary surfactant neither lyses nor aggregates the liposomes. Instead, each lung compartment (alveolar fluid, alveolar leukocytes, and parenchyma) elutes liposomes over 24 h, likely serving as “drug depots.” After deposition in the surfactant layer, liposomes are transferred over 3–6 h to alveolar leukocytes (which take up a surprisingly minor 1–5% of total lung dose instilled) in a nonsaturable fashion. Further, all cell layers of the lung parenchyma take up liposomes. These and other mechanisms elucidated here should guide engineering of future inhaled nanomedicine for alveolar diseases.
A Transformable and Bulky Methacrylate Monomer That Enables the Synthesis of an MMA‐nBA Alternating Copolymer: Sequence‐Dependent Self‐Healing Properties
Authors: Lai Haiwang , Jin Changming , Park Junsu , Ikura Ryohei , Takashima Yoshinori , Ouchi Makoto
Published: January 2023

In this study, we designed a methacrylate molecule with an alkyl‐substituted trichloro salicylic acid pendant as a transformable bulky monomer to enable the synthesis of an alternating copolymer of methyl methacrylate (MMA) and n‐butyl acrylate (nBA). The adamantyl‐substituted methacrylate monomer (1‐Ad) showed very low homopolymerization propensity in radical polymerizations, but afforded the alternating copolymer with nBA via copolymerization. The 1‐Ad units in the resultant copolymer were quantitatively and selectively transformed into MMA via transesterification with methanol to yield the alternating copolymer of MMA and nBA. Its alternating sequence was clearly demonstrated by a structural analysis via 13C NMR spectroscopy as well as the low reactivity ratios for the 1‐Ad and nBA pair. Finally, we verified the superior self‐healing ability of the alternating copolymer compared to that of the corresponding 1 : 1 statistical copolymer.
Borane als Wegbereiter zu anionischen cyclischen (Alkyl)(amino)carbenen (Ani‐cAACs)
Authors: Zapf Ludwig , Peters Sven , Radius Udo , Finze Maik
Published: January 2023

Erste anionische cyclische (Alkyl)(amino)carbene (Ani‐cAACs) mit Boran‐Substituenten wurden synthetisiert. Die σ‐Donor‐ und die π‐Akzeptor‐Eigenschaften können durch die Wahl des Boran‐Substituenten eingestellt werden. Ein B(CN)3‐funktionalisiertes Ani‐cAAC wurde erzeugt und in situ umgesetzt. Das verwandte C2F5BF2‐Ani‐cAAC 6 wurde in hoher Ausbeute im Multigrammmaßstab erhalten. Erste Reaktionen dieser neuartigen Liganden mit elementarem Selen und Chloro(triphenylphosphan)gold(I) gaben die anionischen Selen‐Addukte 7 und 8 und den Ani‐cAAC‐Goldkomplex 9. Die Eigenschaften dieser Verbindungen bieten zusammen mit theoretischen Daten einen Einblick in die elektronischen und sterischen Eigenschaften der neuartigen anionischen cAACs. Ani‐cAACs sind vor allem aufgrund ihrer leichten Zugänglichkeit sowie ihrer Eigenschaften wie der negativen Ladung, dem großen sterischen Anspruch und der guten σ‐Donor‐ und π‐Akzeptorfähigkeit einzigartige und vielversprechende neue Bausteine.
Visible‐Light‐Promoted Switchable Selective Oxidations of Styrene Over Covalent Triazine Frameworks in Water
Authors: Ayed Cyrine , Yin Jie , Landfester Katharina , Zhang Kai A. I.
Published: January 2023

Using photocatalytic oxidation to convert basic chemicals into high value compounds in environmentally benign reaction media is a current focus in catalytic research. The challenge lies in gaining controllability over product formation selectivity. We design covalent triazine frameworks as heterogeneous, metal‐free, and recyclable photocatalysts for visible‐light‐driven switchable selective oxidation of styrene in pure water. Selectivity in product formation was achieved by activation or deactivation of the specific photogenerated oxygen species. Using the same photocatalyst, by deactivation of photogenerated H2O2, benzaldehyde was obtained with over 99 % conversion and over 99 % selectivity as a single product. The highly challenging and sensitive epoxidation of styrene was carried out by creating peroxymonocarbonate as an initial epoxidation agent in the presence of bicarbonate, which led to formation of styrene oxide with a selectivity up to 76 % with near quantitative conversion. This study demonstrates a preliminary yet interesting example for simple control over switchable product formation selectivity for challenging oxidation reactions of organic compounds in pure water.
Boranes Paving the Way to Anionic Cyclic (Alkyl)(amino)carbenes (Ani‐cAACs)
Authors: Zapf Ludwig , Peters Sven , Radius Udo , Finze Maik
Published: January 2023

First examples of anionic cyclic (alkyl)(amino)carbenes (Ani‐cAACs) that contain borane substituents have been synthesized. The nature of the borane substituents allows a modulation of the σ‐donor or π‐acceptor abilities compared to their neutral analogues. A B(CN)3‐substituted Ani‐cAAC has been generated and used in situ. The corresponding C2F5BF2‐Ani‐cAAC 6 was obtained in high yield on a multigram scale. First reactions of these novel ligands with elemental selenium and chloro(triphenylphosphine)gold(I) led to the anionic selenium adducts 7 and 8 and the Ani‐cAAC gold complex 9. The properties of these compounds and data derived from theoretical calculations provide an insight into the electronic and steric properties of these novel anionic cAACs. Especially the ease of synthesis and the combination of properties such as negative charge, large buried volume, and good σ‐donor and π‐acceptor ability renders Ani‐cAACs unique and promising new building blocks.
Antibacterial piperazine‐derived quaternized copolyesters with controlled degradability
Authors: Goel Shubhra , Kaur Manleen , Singh Neetu , Jacob Josemon
Published: January 2023

The slow degradability of aliphatic polyesters can be attributed to their poor hydrophilicity. In this article, we report on a series of biodegradable and biocompatible pH‐responsive piperazine‐based copolyesters labeled P2‐P7 synthesized by melt polycondensation approach that exhibit tunable hydrophilicity with antibacterial properties. X‐ray diffraction analysis showed the copolymers to be highly crystalline, with their crystallinity in the range of 41%–55%. Contact angle measurements showed moderate hydrophilicity, with a water contact angle of 59°–71° for P2‐P7 suggesting that the incorporation of piperazine units in the copolymer backbone moderately improves their hydrophilicity. N‐alkylation with methyl iodide further enhanced their hydrophilicity with their measured contact angles changing from 62° in unalkylated P2 to 27° in the fully alkylated analogue P12. The effect of crystallinity and hydrophilicity on polyester degradation was systematically investigated by hydrolytic degradation studies. The quaternized copolymer P10 showed ~39% reduction in molecular weight, whereas only ~19% of P2 was degraded in 8 weeks, thus exhibiting faster degradation in the quaternized polyester. The biocompatibility with U2OS cells and the antibacterial properties established their importance as potential biomedical materials.
A simple and cost‐effective method for studying anoxia tolerance in plants
Authors: Sherwood Orla L. , Carroll Rebecca , Burke Stephen , McCabe Paul F. , Kacprzyk Joanna
Published: January 2023

Premise

We developed a novel, cost‐effective protocol that facilitates testing anoxia tolerance in plants without access to specialized equipment.

Methods and Results

Arabidopsis thaliana and barley (Hordeum vulgare) seedlings were treated in airtight 2‐L Kilner jars. An anoxic atmosphere was generated using Oxoid AnaeroGen 2.5‐L sachets placed on in‐house, custom‐built wire stands. The performed experiments confirmed a higher sensitivity to low oxygen stress previously observed in anac017 A. thaliana mutants and the positive effect of exogenous sucrose on anoxia tolerance reported by previous studies in A. thaliana. Barley seedlings displayed typical responses to anoxia treatment, including shoot growth cessation and the induction of marker genes for anaerobic metabolism and ethylene biosynthesis in root tissue.

Conclusions

The results validate the novel method as an inexpensive, simple alternative for testing anoxia tolerance in plants, where access to an anaerobic workstation is not possible. The novel protocol requires minimum investment and is easily adaptable.
Influence of the pKa value on the antioxidant activity of licorice flavonoids under solvent‐mediated effects
Authors: Hu Yi , Wang Zhuxian , Shen Chunyan , Jiang CuiPing , Zhu Zhaoming , Liang Peiyi , Li Hui , Zeng Quanfu , Xue Yaqi , Wu Yufan , Wang Yuan , Liu Li , Zhu Hongxia , Yi Yankui , Liu Qiang
Published: January 2023

Licorice flavonoids (LCFs) have been widely used in food care and medical treatment due to their significant antioxidant activities. However, the molecular mechanism of their antioxidant activity remains unclear. Therefore, network pharmacology, ADMET, density functional theory (DFT), molecular docking, and molecular dynamics (MD) simulation were employed to explore the molecular mechanism of the antioxidant effects of LCF. The network pharmacology and ADMET studies showed that the active molecules of kumatakenin (pKa = 6.18), licoflavonol (pKa = 6.86), and topazolin (pKa = 6.21) in LCF are key antioxidant components and have good biosafety. Molecular docking and MD simulation studies demonstrated that active molecules interacted with amino acid residues in target proteins to form stable protein–ligand complexes and exert their antioxidant effects. DFT studies showed that the antioxidant activity of LCF could be significantly modulated under the solvent‐mediated effect. In addition, based on the derivation of the Henderson–Hasselbalch and van't Hoff formulas, the functional relationships between the reaction‐free energy (ΔG) of LCF and the pH and pKa values were established. The results showed that active molecules with larger pKa values will be more conducive to the improvement of their antioxidant activity under solvent‐mediated effects. In conclusion, this study found that increasing the pKa value of LCF would be an effective strategy to improve their antioxidant activity under the effect of solvent mediation. The pKa value of an LCF will be a direct standard to evaluate its solvent‐mediated antioxidant activity. This study will provide theoretical guidance for the development of natural antioxidants.
A review on the recent advancements in nanomaterials for nonenzymatic lactate sensing
Authors: Jannath Khatun A. , Karim Md Mobarok , Saputra Heru Agung , Seo Kyeong‐Deok , Kim Kwang Bok , Shim Yoon‐Bo
Published: January 2023

Lactate is one of the major biomarkers to assess the physical fitness of human in clinical or sports medicine. The proper and well‐timed lactate determination can avoid some exigent conditions including hemorrhage, respiratory distress, sepsis, and hypoxia. Therefore, rapid, facile, selective, and reliable detection of lactate have gained appreciation lately. Among the various lactate detection methods, electrochemical method is the most rapid, convenient, and sensitive technique. Specifically, nanomaterial‐based nonenzymatic electrochemical lactate sensors are much desirable to solve the demerits and stability issues of enzymatic lactate sensors. Numerous materials including metal and metal oxide nanoparticles, metal–organic frameworks, molecularly imprinted polymers, and carbons were used as electrocatalysts to achieve highly sensitive lactate sensors. This present review mainly focuses on the recent developments of these materials for enzyme‐free lactate oxidation and the future prospective of electrode modification catalysts for lactate sensors.
Nanoplasmonic assay platforms for reproducible SERS detection of Alzheimer's disease biomarker
Authors: Dang Hajun , Joung Younju , Jeong Chaehyeon , Jeon Chang Su , Pyun Sung Hyun , Park Sung‐Gyu , Choo Jaebum
Published: January 2023

With the recent developments in high‐sensitivity optical detection technologies, many studies have been conducted to accurately detect biomarkers with low concentrations of 1.0 pM or less as well as apply them to in vitro diagnostics. The tubulin‐associated unit (tau‐381) protein, a biomarker of Alzheimer's disease, is one such representative example, and its cut‐off value reported in clinical practice is 5.5 fM. Therefore, a robust sensing technology that can stably detect such low concentrations of biomarkers is needed. In this study, tau‐381 was detected with high sensitivity and reproducibility by a plasmonic Au nanopopcorn substrate fabricated via thermal evaporation. Here, aptamer DNAs labeled with Raman reporters on the terminal were used as the receptors. The plasmonic nanopopcorn substrate used in this study is composed of uniform gold nanoparticles (AuNPs) of average size 64 nm. The reproducibility was significantly improved through more uniform nanogaps than those formed by aggregation of AuNPs in solution. An assay was conducted by first reacting tau‐381 with the corresponding aptamers, and the remaining aptamer DNAs were then reacted with capture DNAs immobilized on the surface of the Au substrate. The assay results for tau‐381 showed a limit of detection value of 2.2 fM, which is below the cut‐off value (5.5 fM).
Should Sedillot's triangle be used for central venous cannulation? A cadaveric study
Authors: Dunne Henry , Abou‐Abdallah Michel , Robinson Michael , Kenyon Olivia , Brassett Cecilia
Published: January 2023

Central venous access remains an integral part of perioperative and intensive care, and several methods have been described to locate the internal jugular vein (IJV) prior to cannulation. The apex of Sedillot's triangle between the manubrial and clavicular heads of the sternocleidomastoid (SCM) muscle is a commonly used anatomical landmark for a central percutaneous approach to the IJV, but the literature highlights failures and complications when adopting this method. This cadaveric study was designed to investigate the usefulness of Sedillot's triangle to locate the IJV. Sixty‐one cadavers were used for investigation at the University of Cambridge Human Anatomy Centre. Sedillot's triangle was dissected and a pin was inserted in a sagittal plane at the apex of the triangle. The location of the pin in relation to the IJV was recorded. The distance between the sternal and clavicular heads of SCM was also measured. In total, the pin inserted at the apex of Sedillot's triangle pierced the IJV in 72/117 (61.5%) of dissections, with 71.4% on the right and 52.5% on the left. There was important variation in SCM anatomy, and there was no gap between its two heads in 12% of the neck dissections. We demonstrate an overall poor success rate of the central percutaneous approach using Sedillot's triangle, although our findings are limited being a simulated cadaveric study. We support education and use of ultrasound in addition to landmark techniques to aid the safe insertion of central venous catheters.
Methodology of teaching the fundamentals of electrical engineering and electronics for the pharmaceutical production technology specialty
Authors: Zhussipbekova Sholpan , Alimbekova Gulshakhan , Rystygulova Venera , Shadinova Kunsulu , Aliya Adilbekova
Published: January 2023

The aim of this research is to study the main pedagogical experiments conducted for the purpose of practical study of the level of mastery by students of pharmaceutical specialties of electrical engineering and electronics fundamentals. The basis of the methodological approach in this research work is a combination of existing system analysis methods of teaching disciplines related to the fundamentals of electrical engineering and electronics for nontechnical specialties of modern educational institutions, with experimental studies of pedagogical features of the perception of the taught discipline by students of pharmaceutical specialties. The results of this research indicate a weak interest of students of the pharmaceutical specialty of the Asfendiyarov Kazakh National Medical University in mastering the discipline ‘Fundamentals of Electrical Engineering and Electronics’, which indicates the need to improve existing teaching methods and develop new ones that can provide more tangible results. The results and conclusions of this research work are of significant practical importance from the standpoint of the prospects for improving the teaching of this group of disciplines for students of nontechnical specialties of educational institutions and are also of great importance for teachers of the fundamentals of electrical engineering and electronics, faced with the urgent need to teach this kind of material to students during lectures and practical classes.
Integration of Excel VBA with professional software for the structural analysis and design of civil structures
Authors: Tamayo Jorge L. P. , Mucillo Vitor C. , Bigarella Bruno G.
Published: January 2023

A feasible combined approach between structural analysis program (SAP) 2000 and Excel software is proposed in this article to develop customized numerical tools for the analysis of civil engineering structures. For such scope, the Open Application Programming Interface from SAP 2000 software is linked to the Visual Basic for Application (VBA) environment embedded within Excel. Three computer applications resembling industrial situations related to size optimization of trusses, soil−structure interaction in buildings, and automatic design of reinforced concrete slabs are presented. As the tools are parameterized, students can observe the effects of the various parameters on the output response of the structures because geometry, loading, and material properties can be easily varied. As the main concern is the educational aspect, the novelty of this research is to present the proposed combined approach in a stepwise manner with explained codes. The source codes of the developed tools are made freely available so that the applicants can modify them according to their priorities. The tools present a friendly user interface that made them attractive to use in daily design tasks at the office, but certainly, they are the result of the integration of student knowledge as part of a bachelor's dissertation in an undergraduate civil engineering educational program. The tools have been preliminarily introduced into a reinforced concrete course at the Federal University of Rio Grande do Sul (Brazil), searching for a better understanding of theoretical concepts, while integrating technology into the classroom and reducing time constraints as new configurations for the studied structures can be easily explored during class.
Identification of EMP1 as a critical gene for cisplatin resistance in ovarian cancer by using integrated bioinformatics analysis
Authors: Zeng Qingsong , Yi Cunjian , Lu Jinzhi , Wang Xiaowen , Chen Keming , Hong Li
Published: January 2023

Background

Cisplatin resistance is among the main reasons for the poor prognosis of ovarian cancer (OC) patients. Until now, effective biomarkers for predicting cisplatin resistance in OC and specific drugs for reversing this resistance are lacking. This study identified the critical gene associated with cisplatin resistance in OC and provided a potential target for overcoming this resistance.

Methods

Differentially expressed genes between cisplatin‐resistant and ‐sensitive OCs were identified by screening public datasets. Survival analysis was conducted to screen prognosis‐related DEGs. CIBERSORT, ESTIMATE, and immune checkpoint genes were used to assess the association between EMP1 expression and tumor microenvironment features. CTRP and GDSC databases were employed to analyze the correlation between EMP1 expression and cisplatin resistance. Furthermore, immunohistochemistry, qPCR, Western blotting, siRNA interference, and the CCK8 assay were performed to verify the role of EMP1 in cisplatin resistance in vitro. Finally, xenograft mouse models were generated to further confirm the role of EMP1 in cisplatin resistance in vivo.

Results

EMP1 was identified as a critical gene associated with cisplatin resistance in OC. According to bioinformatics analyses, increased EMP1 expression was linked to higher stromal/ESTIMATE scores as well as greater ICG expression levels. The in vitro experiments showed that EMP1 was highly expressed in cisplatin‐resistant OC tissues and cells, and silencing this EMP1 expression enhanced OC cell sensitivity to cisplatin. Finally, in vivo experiments confirmed that EMP1 promotes tumor growth and cisplatin resistance.

Conclusions

EMP1 can act as a predictive biomarker for cisplatin resistance in OC and as a potential therapeutic target.
High expression of LOC541471, GDAP1, SOD1, and STK25 is associated with poor overall survival of patients with acute myeloid leukemia
Authors: Yu Xibao , Chen Cunte , Hu Yanyun , Li Kehan , Zhang Yikai , Chen Zheng , Nie Dingrui , Gao Rili , Huang Youxue , Zhong Mengjun , Wang Caixia , Wang Shunqing , Zeng Yixin , Li Yangqiu , Zeng Chengwu
Published: January 2023

Background

Acute myeloid leukemia (AML) is an aggressive heterogeneous hematological malignancy with remarkably heterogeneous outcomes. This study aimed to identify potential biomarkers for AML risk stratification via analysis of gene expression profiles.

Methods

RNA sequencing data from 167 adult AML patients in the Cancer Genome Atlas (TCGA) database were obtained for overall survival (OS) analysis, and 52 bone marrow (BM) samples from our clinical center were used for validation. Additionally, siRNA was used to investigate the role of prognostic genes in the apoptosis and proliferation of AML cells.

Results

Co‐expression of 103 long non‐coding RNAs (lncRNAs) and mRNAs in the red module that were positively correlated with European Leukemia Network (ELN) risk stratification and age was identified by weighted gene co‐expression network analysis (WGCNA). After screening by uni‐ and multivariate Cox regression, Kaplan–Meier survival, and protein–protein interaction analysis, four genes including the lncRNA LOC541471, GDAP1, SOD1, and STK25 were incorporated into calculating a risk score from coefficients of the multivariate Cox regression model. Notably, GDAP1 expression was the greatest contributor to OS among the four genes. Interestingly, the risk score, ELN risk stratification, and age were independent prognostic factors for AML patients, and a nomogram model constructed with these factors could illustrate and personalize the 1‐, 3‐, and 5‐year OS rates of AML patients. The calibration and time‐dependent receiver operating characteristic curves (ROCs) suggested that the nomogram had a good predictive performance. Furthermore, new risk stratification was developed for AML patients based on the nomogram model. Importantly, knockdown of LOC541471, GDPA1, SOD1, or STK25 promoted apoptosis and inhibited the proliferation of THP‐1 cells compared to controls.

Conclusions

High expression of LOC541471, GDAP1, SOD1, and STK25 may be biomarkers for risk stratification of AML patients, which may provide novel insight into evaluating prognosis, monitoring progression, and designing combinational targeted therapies.
Comparison of the prognosis of symptomatic cerebral infarction and pulmonary embolism in patients with advanced non‐small cell lung cancer
Authors: Nakamura Ryota , Yamada Tadaaki , Tanaka Satomi , Sasada Aosa , Shiotsu Shinsuke , Tani Nozomi , Takeda Takayuki , Chihara Yusuke , Hirai Soichi , Takemura Yoshizumi , Yoshimura Akihiro , Morimoto Kenji , Iwasaku Masahiro , Tokuda Shinsaku , Kim Young Hak , Takayama Koichi
Published: January 2023

Background

Lung cancer patients face a high risk of thromboembolism (TE), which is considered to be a poor prognostic factor. However, the impact of symptomatic cerebral infarction (CI) and pulmonary embolism (PE) on the prognosis of advanced non‐small cell lung cancer (NSCLC) patients is not fully understood.

Methods

We retrospectively identified 46 patients with advanced NSCLC who developed symptomatic CI or PE at five hospitals in Japan between January 2010 and December 2019. Prognosis and biomarker levels after incident CI and PE were investigated.

Results

Of the 46 patients, 36 developed symptomatic CI, and 10 developed symptomatic PE. The median follow‐up duration after incident CI and PE was 18.2 months. Although the proportion of Common Terminology Criteria for Adverse Events grade 4 tended to be higher in patients with PE than in those with CI (30% vs. 11%, p = 0.16), the overall survival (OS) after incident TE tended to be worse in patients with CI than in those with PE (median 2.3 months vs. 9.1 months, log‐rank test p = 0.17). Multivariate analysis showed that OS after CI was worse in patients with high D‐dimer (DD) levels than in those with low DD levels at the time of incident CI (median 1.3 months vs. 8.3 months, log‐rank p < 0.001).

Conclusions

This retrospective study demonstrated that the prognosis of patients tended to be poorer after CI than after PE. The DD levels at the time of incident CI might be a promising predictor of clinical outcomes in advanced NSCLC patients who develop CI.