bluuebunny/crossref_metadata_2025 huggingface dataset:
Child and adolescent diet in Late Roman Gaul: An investigation of incremental dietary stable isotopes in tooth dentine
Authors: Avery L. Creighton , Brickley Megan B. , Findlay Sheri , Chapelain de Seréville‐Niel Cécile , Prowse Tracy L.
Published: August 2021

Incremental analysis of stable carbon and nitrogen isotopes in tooth dentine is used to explore child and adolescent diet among individuals in the Late Roman Michelet Necropolis (Lisieux, France; fourth to fifth centuries CE). We analyzed 292 incremental sections from 46 second and third molars to explore dietary patterns between the ages of 4.5 and 23.5 years. Results indicate that individuals consumed more, or higher trophic level, terrestrial‐based animal proteins as they aged. Sex‐based comparisons also suggest that males and females consumed isotopically similar diets for most of their childhood; however, around age 16.5, males exhibited significantly lower δ15N values than females with a large effect size (U = 21.0, p = 0.012, g = 1.3). This difference in diet occurs during an important age‐based social change in the Roman life course, as individuals transitioned from childhood (pueritia) to adolescence (adulescentia). When the isotopic data are combined with literary and archaeological evidence, it suggests that this was the point when men and women diverged in their life course trajectories. Young men were expected to begin apprenticeships or military duty away from home, whereas women were kept close to their family home at this age. The isotopic results suggest these gendered experiences may have influenced dietary choices or access to foods at Lisieux‐Michelet. The results of this study demonstrate the utility of using permanent dentition in adult remains to explore childhood experiences and provide new insights into child and adolescent diet and gendered experiences in the context of the Late Roman Empire.
Distinguishable Targeting of Non‐Small Cell Lung Cancer Using Hyaluronan Functionalized Platinum Nanoclusters and Their Inhibition Behaviors of Proliferation, Invasion, Migration
Authors: Liu Ting , Huang Xin , Zhao Lingyun , Xiao Zhongqing , Li Zengbei , Xin Yi , Yang Shanshan , Guo Di , Zhao Wenfei , Mi Yang , Li Hongyun
Published: August 2021

Lung cancer is the leading cause of cancer deaths worldwide and most cancer patients receiving conventional chemotherapy suffer from severe side effects due to the non‐selective effects of chemotherapeutic drugs on normal cells. Targeted nanomaterials can obtain excellent accumulation at the tumor site through their active or passive targeting mechanisms, thereby reducing the toxicity of the drugs in various ways. In this study, hyaluronic acid (HA) which could specifically bind to CD44 on the surface of tumor cells, was used to modify amine‐caged platinum nanoclusters (Pt NCs‐NH2) to obtain targeting HA‐Pt NCs‐NH2. Based on the differential expression of CD44 on the surface of three lung cells (non‐small cell lung cancer cell H1299, small cell lung cancer cell H446, and embryonic lung fibroblast HFL1), HA‐Pt NCs‐NH2 can differentially enter the three cells and achieve their targeting of non‐small cell lung cancer cell (NSCLC) cells. Pt NCs significantly inhibited the proliferation, migration and invasion of NSCLC cells and induced their apoptosis in comparison of classical cisplatin and carboplatin, showing a bright future in early diagnosis and treatment of NSCLC.
TOCSY, hydrogen decoupling and computational calculations to an unequivocal structural elucidation of a new sesquiterpene derivative and identification of other constituents fromPraxelis sanctopaulensis
Authors: Araújo Débora L. O. , Ramos Anderson V. G. , Daufemback João V. , de Souza Maria E. V. , Moreno Beatriz Pereira , Fernandes Cleverton S. , Lopes Ana Paula , Battistella Alana C. , Basso Ernani A. , Visentainer Jesuí V. , Tiuman Tatiana S. , Cottica Solange M. , Carmo Marta R. B. , Sarragiotto Maria H. , Baldoqui Debora C.
Published: August 2021

Introduction

Praxelisgenus comprises 24 species, however, only two species of this genus have been chemically investigated. Here we investigatedPraxelis sanctopaulensis, a native plant from Brazil, that occurs mainly in Cerrado regions.

Objective

The goal was to identify the specialised metabolites fromP. sanctopaulensis, and compare with those described fromPraxelisandChromolaenaspecies.

Methods

The phytochemical study ofP. sanctopaulensiswas performed through different chromatography techniques, including high‐performance liquid chromatography (HPLC), gas chromatography flame ionisation detector (GC‐FID), and ultra‐high‐performance liquid chromatography high‐resolution tandem mass spectrometry (UHPLC‐HRMS/MS). The structures of the compounds were established based on spectroscopic analysis, total correlated spectroscopy (TOCSY), hydrogen decoupling and computational calculations was used to an unequivocal structural elucidation of a new sesquiterpene. The antioxidant activity was evaluated using 1,1‐diphenyl‐2‐picrylhydrazyl (DPPH) and ferric reducing antioxidant power (FRAP), and antimicrobial assay was performed by the microdilution method. Comparison of the flavonoids describedP. sanctopaulensiswas carried out using principal component analysis.

Results

The phytochemical investigation ofP. sanctopaulensisled to the isolation of a pair of diastereomers, praxilone A and praxilone B. Seven known compounds were isolated from this species, another 14 fatty acids were detected in hexane fraction, and 26 compounds were identified from ethyl acetate fraction. All these compounds are being described for the first time in this species, with the exception of viridifloric acid. The ethyl acetate fraction showed potent antioxidant activity.

Conclusions

Forty‐seven compounds are described fromP. sanctopaulensis. The combination of different techniques of nuclear magnetic resonance (NMR) spectroscopy and computational calculations allowed the unequivocal structure elucidation of a new cadinene. The clustering analysis showed similarities between the flavonoids identified inP. sanctopaulensisand inChromolaenaspecies.
Side‐chain crystallization and phase transition of poly[styrene‐co‐(maleic anhydride)]‐g‐alkylamine comb‐like polymers
Authors: Mao Huiqin , Wang Yanpeng , Wang Haixia , Li Lang , Shi Haifeng
Published: August 2021

Taking NHCO as the chemical spacer, poly[styrene‐co‐(maleic anhydride)]‐g‐alkylamine (SMACnN) comb‐like polymers are prepared through grafting reaction between poly[styrene‐co‐(maleic anhydride)] and n‐alkylamine with n changing from 12 to 18. SMACnN comb‐like polymers present an obvious crystallization behavior owing to the introduced alkyl side chains, and the melting temperature and enthalpy of the side‐chain crystallites increase from 9.2 to 41.6 °C and from 6.0 to 17.6 kJ mol−1, respectively, showing a variation with the side‐chain length. At least 12 side‐chain carbon atoms are required to pack into a hexagonal crystal structure for SMACnN comb‐like polymers. Fourier transform infrared and X‐ray analysis results demonstrate the phase transition from hexagonal to an amorphous state, and the conformationally disordered alkyl chains affect the packing manner of side‐chain crystallites. Including the side‐chain length and polymer backbone, the chemical spacer between the side chain and the main chain influences the formation of side‐chain crystallites and the phase transition process. So, the study of SMACnN further strengthens the understanding of the phase transition behavior and side‐chain crystallization of comb‐like polymers triggered by the side‐chain length and the microstructure differences. © 2021 Society of Industrial Chemistry.
Cardiovascular sequelae of sports‐related concussions
Authors: Krzyzaniak Halli , Fatehi Hassanabad Ali
Published: August 2021

We are becoming more aware of sports‐related concussions (SRCs). Current return‐to‐play (RTP) guidelines are often based on subjective clinical symptoms rather than objective physiologic measures. Although evidence is limited, the purpose of this article is to summarize the data pertaining to acute and chronic cardiovascular effects of SRCs, and to determine whether there are objective metrics that could improve currently used RTP protocols. Research shows that SRCs cause cardiovascular autonomic nervous system (CV‐ANS) dysfunction induced by decreased baroreceptor sensitivity (BRS). This disturbance persists past the point of clinical symptom resolution and can worsen through subsequent exertion, which may impact long‐term recovery. Further studies are needed to establish the most appropriate physiologic metrics for analyzing recovery post‐SRC and whether the addition of physiologic measures to RTP guidelines improves recovery from these injuries. This is an understudied area that carries important clinical implications. Larger and more robust trials are warranted to inform the development of guidelines that should focus on lessening the compounding effects of multiple concussions and improve the management of SRCs.
Improving invasive species management using predictive phenology models: an example from brown marmorated stink bug (Halyomorpha halys) inJapan
Authors: Kamiyama Matthew T , Matsuura Kenji , Yoshimura Tsuyoshi , Yang Chin‐Cheng Scotty
Published: August 2021

BACKGROUND

In order to better understand the population dynamics of invasive species in their native range, we developed two predictive phenological models using the ubiquitous invasive insect pest,Halyomorpha halys(Stål) (Hemiptera: Pentatomidae), as the model organism. Our work establishes a zero‐inflated negative binomial regression (ZINB) model, and a general additive mixed model (GAMM) based on 11 years of black light trap monitoring ofH. halysat three locations in Japan.

RESULTS

The ZINB model indicated that degree days (DD) have a significant effect on the trap catch of adultH. halys, and that precipitation has no effect. A dataset generated by 1000 simulations from the ZINB suggested that higher predicted trap catches equated to a lower probability of encountering a zero‐count. The GAMM produced a cubic regression smooth curve which forecasts the seasonal phenology ofH. halysas following a bell‐shaped trend in Japan. Critical DD points during the field season in Japan included 261 DD for firstH. halysadult detection and 1091 DD for peak activity.

CONCLUSIONS

This study establishes the first models capable of forecasting nativeH. halyspopulation dynamics based on DD. These robust models practically improve population forecasting ofH. halysin the future and help fill gaps in knowledge pertaining to its native phenology, thus ultimately contributing to the progression of efficient management of this globally invasive species. © 2021 Society of Chemical Industry.
A LAMP (loop‐mediated isothermal amplification) test for rapid identification of Khapra beetle (Trogoderma granarium)
Authors: Rako Lea , Agarwal Arati , Semeraro Linda , Broadley Adam , Rodoni Brendan C , Blacket Mark J
Published: August 2021

BACKGROUND

Khapra beetle (Trogoderma granarium Everts) is a significant pest of food products around the world, causing great losses of stored grain and produce, with export restrictions imposed on countries with established beetle populations. Khapra beetle is a high‐priority exotic invertebrate pest in many countries requiring a rapid quarantine/biosecurity response when incursions occur. To address this, we developed a novel Khapra LAMP (loop‐mediated isothermal amplification) assay using a portable real‐time fluorometer and an additional 18S ribosomal DNA (18S) insect control LAMP assay for confirmation of the presence of insect DNA. Both LAMP tests can be performed either in a portable real‐time fluorometer or using simple, visual colorimetric technique.

RESULTS

Both the Khapra and 18S LAMP tests amplify positive samples within ≤ 25 min, with an anneal derivative temperature of 77.7 ± 0.7 °C for Khapra LAMP test and 88.0 ± 1.0 °C for 18S. The new Khapra LAMP assay is sensitive to very low levels of DNA (1.02 × 10−6 ng μL−1). Additionally, we developed a gBlock double stranded DNA fragment for use as positive Khapra control with a different anneal derivative of 80 °C. Both assays are simple to use in the field and are capable of amplifying DNA from target beetles, even when samples are partially degraded which is typically found during surveillance activities. By screening a broad panel of Dermestidae species we demonstrate that our new assay is species‐specific, with no detections of false positives. Also, we evaluated multiple DNA extraction methods, with both QuickExtract and HotSHOT extraction methods proving suitable for in‐field use.

CONCLUSION

The novel Khapra and 18S LAMP assays should improve speed, accuracy and confidence of detection of Khapra beetle at incursion points and aid rapid biosecurity responses in any country affected, especially as the assays described here are portable and easy to implement in the field conditions where resources are limited. © 2021 The Authors. Pest Management Science published by John Wiley & Sons Ltd on behalf of Society of Chemical Industry.
Correlation of Defects and Lasing Threshold for AlGaN Deep Ultraviolet Lasers Grown by Molecular Beam Epitaxy
Authors: Yin Xue , Zhao Songrui
Published: August 2021

Herein, aluminum gallium nitride (AlGaN)/AlN double‐heterostructure (DH) laser at 287 nm with a lasing threshold of 530 kW cm−2 is shown. The laser structure is grown on the AlN‐on‐sapphire template by molecular beam epitaxy. This lasing threshold is drastically reduced compared with the previously reported AlGaN DH lasers at 297 nm with a threshold of around 1 MW cm−2. The detailed studies indicate that this improvement is mainly attributed to the control of defect formation largely due to the increased growth temperature of the AlGaN active layer. This is consistent with the improved internal quantum efficiency at low excitations. Moreover, the control of Al vacancy related point defects is clearly demonstrated by the absence of defect emission in the visible band.
Aromatic monophenols from cinnamon bark act as proteasome inhibitors by upregulating ER stress, suppressing FoxM1 expression, and inducing apoptosis in prostate cancer cells
Authors: Gopalakrishnan Srividya , Ismail Ayesha
Published: August 2021

Cinnamon contains bioactive substances with diverse medicinal properties. We investigated the anticancer potential of abundant monophenols from cinnamon, namely, cinnamaldehyde, cinnamic acid, and eugenol, by hypothesizing that they possess proteasome inhibitory activities capable of suppressing cancer cell proliferation and inducing apoptosis. This hypothesis was tested by evaluating proteasome inhibitory activities of the compounds, and assessing downstream molecular and cellular events that are known to be impacted by proteasome inhibitors. The cinnamon compounds inhibited the catalytic activities of the proteasome in prostate cancer cells, but not in normal cells. Treatment with cinnamon compounds or the synthetic proteasome inhibitor MG132 upregulated p27 and IkBα proteins, and downregulated FoxM1 and angiogenic markers. These molecular events were associated with the decreased proliferation of prostate cancer cells. Treatment with cinnamon compounds or MG132 upregulated the expression of genes associated with endoplasmic reticulum (ER) stress/unfolded protein response (BIP, PERK, CHOP, and XBP1(S)). Furthermore, cinnamon compounds or MG132 upregulated the expression of genes required for the assembly of the caspase‐8 activation platform in autophagosomes (LC3B, ATG5, p62, and Beclin1). The autophagy inhibitor, 3‐methyladenine, blocked the compounds‐mediated activation of caspase‐8 and its downstream target caspase‐3. In conclusion, proteasome inhibition by aromatic monophenols from cinnamon inhibits proliferation and leads to the death of prostate cancer cells by autophagy‐dependent apoptosis.
Integrated sample desalting, enrichment, and ionization on an omniphobic glass slide for direct mass spectrometry analysis
Authors: Wang Jing , Valentine Stephen J. , Li Peng
Published: August 2021

Rationale

Direct and rapid mass spectrometry (MS) analysis is desired for many applications including environmental monitoring, forensic analysis, chemical and biological defense, and point‐of‐care testing. However, sample pretreatment is often necessary for analyzing targets from complex matrices using MS due to ion suppression. To achieve rapid MS analysis calls for simple and efficient solutions for sample processing and ionization. Here, a simple sample pretreatment and ionization workflow is reported, which achieves sample desalting, enrichment, and ionization on a single glass slide.

Methods

Desalting is achieved based on crystallization and re‐dissolution‐induced spontaneous separation of analytes and salt. Efficient sample enrichment is achieved during the crystallization process by modifying the glass surface with an omniphobic coating. Finally, vibrating sharp‐edge spray ionization is employed to ionize the target molecules directly on the glass slide. Thus, all the necessary sample operations prior to MS analysis are completed on the sample glass slide.

Results

Efficient sample enrichment on the omniphobic glass slide is first visualized using food dyes. The benefits of the desalting and enrichment steps for detecting macrolide antibiotics in 1× phosphate buffered saline (PBS) solutions are demonstrated by comparing samples with different treatment procedures. Finally, quantification of macrolide antibiotics from PBS and serum samples is demonstrated. A linear range between 2 nM and 10 μM has been achieved for the serum sample with a limit of detection of 1 nM.

Conclusions

A simple, flexible, low‐cost, and highly integrated workflow for detecting target molecules from complex matrices using MS is demonstrated. This method will be valuable to many applications that require rapid and efficient MS analysis of complex samples.
Reinforcing the Induction of Immunogenic Cell Death Via Artificial Engineered Cascade Bioreactor‐Enhanced Chemo‐Immunotherapy for Optimizing Cancer Immunotherapy
Authors: Sun Kai , Hu Jinzhong , Meng Xiangyu , Lei Yunfeng , Zhang Xuezhong , Lu Zhuoxuan , Zhang Liming , Wang Zhifei
Published: August 2021

Traditional chemo‐immunotherapy can elicit T cell immune response by inducing immunogenic cell death (ICD), however, insufficient ICD limits the lasting antitumor immunotherapeutic efficacy. Herein, tadpole–ovoid manganese‐doped hollow mesoporous silica coated gold nanoparticles (Au@HMnMSNs) as biodegradable catalytic cascade nanoreactors are constructed to generate intratumoral high‐toxic hydroxyl radicals combined with DOX and Aspirin (ASA) for enhancing the induction of ICD and maturation of dendritic cells (DCs). The released Mn2+ can catalyze endogenous H2O2 to hydroxyl radicals, while internal gold nanoparticles mimetic glucose oxidase (GOx) converted glucose into H2O2 to accelerate the generation of hydroxyl radicals. On the other hand, tadpole oval‐structured Au@HMnMSNs can avoid the inactivation of gold nanoparticles due to strong protein adsorption. The introduction of ASA is to recruit DCs and cytotoxic T lymphocytes (CTLs) to tumor sites and restrain the intratumoral infiltration of immunosuppressive cells by decreasing the expression of prostaglandin E2 (PGE2). Accordingly, this work presents a novel insight to introduce GOx‐like catalytic cascade ICD nano‐inducer into antitumor immunotherapy for synergistic tumor therapy.
Nanocellulose Length Determines the Differential Cytotoxic Effects and Inflammatory Responses in Macrophages and Hepatocytes
Authors: Li Jiulong , Wang Xiang , Chang Chong Hyun , Jiang Jinhong , Liu Qi , Liu Xiangsheng , Liao Yu‐Pei , Ma Tiancong , Meng Huan , Xia Tian
Published: August 2021

Nanocellulose including cellulose nanocrystal (CNC) and cellulose nanofiber (CNF) has attracted much attention due to its exceptional mechanical, chemical, and rheological properties. Although considered biocompatible, recent reports have demonstrated nanocellulose can be hazardous, including serving as drug carriers that accumulate in the liver. However, the nanocellulose effects on liver cells, including Kupffer cells (KCs) and hepatocytes are unclear. Here, the toxicity of nanocellulose with different lengths is compared, including the shorter CNCs (CNC‐1, CNC‐2, and CNC‐3) and longer CNF (CNF‐1 and CNF‐2), to liver cells. While all CNCs triggered significant cytotoxicity in KCs and only CNC‐2 induced toxicity to hepatocytes, CNFs failed to induce significant cytotoxicity due to their minimal cellular uptake. The phagocytosis of CNCs by KCs induced mitochondria ROS generation, caspase‐3/7 activation, and apoptotic cell death as well as lysosomal damage, cathepsin B release, NLRP3 inflammasome and caspase‐1 activation, and IL‐1β production. The cellular uptake of CNC‐2 by hepatocytes is through clathrin‐mediated endocytosis, and it induced the caspase‐3/7‐mediated apoptosis. CNC‐2 shows the highest levels of uptake and cytotoxicity among CNCs. These results demonstrate the length‐dependent mechanisms of toxicity on liver cells in a cell type‐dependent fashion, providing information to safely use nanocellulose for biomedical applications.
A Hybrid Solar Irradiance Nowcasting Approach: Combining All Sky Imager Systems and Persistence Irradiance Models for Increased Accuracy
Authors: Nouri Bijan , Blum Niklas , Wilbert Stefan , Zarzalejo Luis F.
Published: August 2021

The share of distributed solar power generation is continuously growing. This increase, combined with the intermittent nature of the solar resource creates new challenges for all relevant stakeholders, from generation to transmission and demand. Insufficient consideration of intra‐minute and intra‐hour variabilities might lead to grid instabilities. Therefore, the relevance of nowcasts (shortest‐term forecasts) is steadily increasing. Nowcasts are suitable for fine‐grained control applications to operate solar power plants in a grid‐friendly way and to secure stable operations of electrical grids. In space and time, highly resolved nowcasts can be obtained by all sky imager (ASI) systems. ASI systems create hemispherical sky images. The associated software analyzes the sky conditions and derives solar irradiance nowcasts. Accuracy is the decisive factor for the effective use of nowcasts. Therefore, the goal of this work is to increase the nowcast accuracy by combining ASI nowcasts and persistence nowcasts, which persist with the prevailing irradiance conditions, while maintaining the spatial coverage and resolution obtained by the ASI system. This hybrid approach combines the strengths while reducing the respective weaknesses of both approaches. Results of a validation show reductions of the root mean square deviation of up to 12% due to the hybrid approach.
Prediction of compressive and splitting tensile strength of concrete with fly ash by using gene expression programming
Authors: Shah Hammad Ahmed , Rehman Sardar Kashif Ur , Javed Muhammad Faisal , Iftikhar Yusra
Published: August 2021

The mechanical properties of concrete are one of the most important properties in a design code. Accurate prediction models for mechanical properties are always desirable. Given environmental benefits, fly ash (FA) is often used as a replacement for Portland cement. In this study, two mechanical properties of concrete with FA, that is, compressive strength and splitting tensile strength were modeled by using gene expression programming (GEP). The GEP models were compared with response surface methodology, multiple linear and nonlinear regression. The sensitivity and parametric analysis were also performed. In addition, the influence of parameters of the GEP algorithm on the performance of the developed GEP models was evaluated by testing various linking functions, head sizes, number of genes, number of chromosomes, and fitness functions. It was revealed that the models developed by GEP have high predictive and generalization capability for both and of concrete with FA as compared with the other modeling techniques.
Pre‐training Dataset Generation Using Visual Explanation for Classifying Beam of Vehicle Headlights from Nighttime Camera Image
Authors: Oyabu Tatsuya , Sultana Rebeka , Sakagawa Yuta , Ohashi Gosuke
Published: August 2021

For Automatic High Beam (AHB), the authors are working on a study to classify beam of car headlights as ‘High’ and ‘Low’ by realizing the presence of vehicle on road from nighttime in‐vehicle camera image using deep learning. In general, weights of deep learning model are pre‐trained on a large dataset which are then used as initial weights for other tasks such as image recognition. However, it has been reported that even if the pre‐trained weights are used as the initial weights, it is not a factor of accuracy improvement when domain differs. It is important to pre‐train a model on a dataset that is suitable for target domain. Therefore, we propose a method to generate a pre‐training dataset that can be easily created by using visual explanation which represents where a deep learning model is looking at when performs a task. Then, we applied the proposed pre‐training dataset on the headlight beam classification in the nighttime in‐vehicle camera image and verified the effectiveness of our method. © 2021 Institute of Electrical Engineers of Japan. Published by Wiley Periodicals LLC.
Cathode Spot Velocity of Atmospheric Arc Plasma after Arc Ignition Affected by Self and External Electromagnetic Force between Parallel Electrodes Using 3D Numerical Simulation
Authors: Ren Zhenwei , Nemoto Yusuke , Maeda Yoshifumi , Yamamoto Shinji , Asanuma Gaku , Onchi Toshiyuki , Iwao Toru
Published: August 2021

For visually and quantitatively elucidating the contribution of self and external electromagnetic forces of the cathode spot area to the cathode spot movement, a three‐dimensional electromagnetic thermal fluid simulation program was used to simulate the arc movement between parallel electrodes. According to the analysis results, the cathode spot first step occurred when the electromagnetic force balance of cathode spot area was broken, and the direction of total electromagnetic force at the right side control volume pointed forward. When the current path changes from straight to reentry model, the cathode spot movement became faster because of the self electromagnetic force derived from electrodes. The rapid of cathode spot first step significantly increased along with the arc current increasing, and the increment of self electromagnetic force was more significant than the external electromagnetic force. In conclusion, the application of external magnetic field or the self magnetic field derived from the parallel electrodes benefit to break the electromagnetic force balance of cathode spot area and promote the rapid of cathode spot first step. © 2021 Institute of Electrical Engineers of Japan. Published by Wiley Periodicals LLC.
Kampo medicine can improve quality of life and prolong hemodialysis implementation in patients with advanced‐stage chronic kidney disease
Authors: Shimizu Masayuki , Takayama Shin , Ishizawa Kota , Abe Michiaki , Ishii Tadashi
Published: August 2021

Cases

Chronic kidney disease (CKD) increases in an aging society and eventually leads to hemodialysis (HD). We present two cases of advanced CKD, successfully supported with Kampo medicine (KM), and resulting in delayed initiation of HD. To begin, a 58‐year‐old man with advanced CKD visited the Kampo clinic. His physical findings were general edema and oliguria. Kampo diagnosis showed spleen[™] and kidney[™] deficiencies with fluid[™] retention and blood[™] stasis (the superscript suffix [TM] indicates words (general and medical terms) that are used as Kampo medical terms). Second, a 70‐year‐old woman with advanced CKD had to transfer to the evacuation center because of the Great East Japan earthquake. Two weeks later, her body weight increased with edema and oliguria. Emergency HD was indicated; however, the area was broken down by the earthquake.

Outcome

As an alternative treatment, the first patient was administered KM to tonify the spleen[™] and kidney[™] functions with smoothing fluid[™] and blood[™]. As a result, his serum creatinine (sCr) level decreased from 5.99 to 2.23 mg/dL after five months of administration. Finally, implementation of regular HD was initiated which was prolonged for three years. Similar to the first case, the second patient was prescribed KM; her sCr level decreased from 9.2 to 4.5 mg/dL after a month of administration. Finally, implementation of regular HD was initiated which was prolonged for two years.

Conclusion

Regular HD implementation was prolonged in advanced CKD patients using KM; thus, it is a supportive therapy for advanced CKD patients.
PAD4 inhibitor promotes DNA damage and radiosensitivity of nasopharyngeal carcinoma cells
Authors: Chen Hao , Wei Lining , Luo Min , Wang Xiangping , Zhan Yongzi , Mao Yan , Huang Changjie , Li Jianmin , Lu Heming
Published: August 2021

Peptidylarginine deiminases 4 (PAD4), a kind of enzyme capable of converting protein arginine or mono‐methylarginine into citrulline, has been identified to display a key role in diverse diseases. Radiotherapy is frequently used in nasopharyngeal carcinoma (NPC) treatment and induces DNA double strand breaks. In this study, whether PAD4 inhibitor YW3‐56 affects the radiosensitivity of NPC cells was explored. RT‐qPCR, immunofluorescence, western blot, clonogenic survival, and flow cytometry assays were used to assess the function of PAD4 and YW3‐56 in NPC. We found the upregulation of PAD4 expression in NPC cells. PAD4 overexpression suppressed NPC cell apoptosis and promoted cell cycle, while PAD4 depletion had an opposite result. Moreover, the survival of NPC cells after irradiation was increased by overexpression of PAD4. PAD4 overexpression inhibited DNA damage and sensitivity of NPC cells to irradiation. Functional assays showed that YW3‐56 treatment promoted DNA damage, apoptosis, and radiosensitivity of NPC cells. Importantly, YW3‐56 treatment inhibited tumor growth in vivo. Overall, this study revealed the efficacy of PAD4 inhibitor YW3‐56 in promoting sensitivity of NPC cells to irradiation.
Acute intestinal obstruction after methylene‐diphenyl‐diisocyanate‐based glue ingestion in a dog
Authors: Markou Miltiadis , Anatolitou Anthi
Published: August 2021

A 2‐year‐old, male German Shepherd dog with a history of chronic diarrhea was presented for restlessness and vomiting 4 hours after chewing a plastic container with methylene‐diphenyl‐diisocyanate (MDI)‐based glue. Clinical examination revealed dehydration, fever and a large painful rigid mass in the cranial abdomen. Abdominal radiography showed a radiopaque, round, cranial abdominal mass, along with air‐filled loops proximally and distally. Except for leukocytosis, high blood haematocrit and increased total proteins, blood and serum analysis tests were normal. After initial stabilization, the foreign body was removed, along with part of the jejunum, through enterectomy and enteroanastomosis. On macroscopic evaluation, the foreign body was embedded in the intestinal mucosa. The dog recovered uneventfully. To the authors' knowledge, this is the first reported case of intestinal obstruction after MDI‐based glue ingestion in a dog.
Machine learning in drug design: Use of artificial intelligence to explore the chemical structure–biological activity relationship
Authors: Staszak Maciej , Staszak Katarzyna , Wieszczycka Karolina , Bajek Anna , Roszkowski Krzysztof , Tylkowski Bartosz
Published: August 2021

The paper presents a comprehensive overview of the use of artificial intelligence (AI) systems in drug design. Neural networks, which are one of the systems employed in AI, are used to identify chemical structures that can have medical relevance. Successful training of neural networks must be preceded by the acquisition of relevant information about chemical compounds, functional groups, and their possible biological activity. In general, a neural network requires a large set of training data, which must contain information about the chemical structure–biological activity relationship. The data can come from experimental measurements, but can also be generated using appropriate quantum models. In many of the studies presented below, authors showed a significant potential of neural networks to produce generalizations based on even relatively narrow training data. Despite the fact that neural network systems have been known for more than 40 years, it is only recently that they have seen rapid development due to the wider availability of computing power. In recent years, there has been a growing interest in deep learning techniques, bringing network modeling to a new level of abstraction. Deep learning allows combining what seems to be causally distant phenomena and effects, and to associate facts in a way resembling the human mind.

This article is categorized under:

Computer and Information Science > Chemoinformatics
Mechanism of catalytic ozonation for elimination of methyldopa with Fe3O4@SiO2@CeO2 catalyst
Authors: Xiong Pan , Fan Siqi , Song Jinshan , Dai Qizhou
Published: August 2021

In this study, a magnetic nanocatalyst (Fe3O4@SiO2@CeO2) was prepared and applied in the catalytic ozonation of methyldopa (MD). The effects of operational parameters on catalytic ozonation performance were investigated, including ozone dosage, catalyst dosage, initial MD concentration, and pH. The removal of MD was 45.2% in ozonation, whereas the efficiency was achieved to 83.0% with the addition of Fe3O4@SiO2@CeO2. The results showed that Fe3O4@SiO2@CeO2 could significantly improve the catalytic ozonation performance. And the enhanced mechanism study showed that it was attributed to promotion of ozone decomposition to generate hydroxyl radical. The reaction model was explored, and the reaction rates were calculated for the MD degradation in catalytic ozonation. A higher degradation efficiency of MD in catalytic ozonation was attributed to the enhanced surface effect of the catalysts, which was confirmed by using TBA, PO43−, and p‐BQ as scavengers of hydroxyl radical, surface reaction, and superoxide radical. The hydroxyl radical and superoxide radical played an important role in the degradation of MD. The mechanism of catalytic ozonation by Fe3O4@SiO2@CeO2 was discussed via X‐ray photoelectron spectroscopy (XPS) spectra and experimental data.
On the compactification of 5d theories to 4d
Authors: Martone Mario , Zafrir Gabi
Published: August 2021

Abstract

We study general properties of the mapping between 5d and 4d superconformal field theories (SCFTs) under both twisted circle compactification and tuning of local relevant deformation and CB moduli. After elucidating in generality when a 5d SCFT reduces to a 4d one, we identify nearly all $$ \mathcal{N} $$
N
= 1 5d SCFT parents of rank-2 4d$$ \mathcal{N} $$
N
= 2 SCFTs. We then use this result to map out the mass deformation trajectories among the rank-2 theories in 4d. This can be done by first understanding the mass deformations of the 5d$$ \mathcal{N} $$
N
= 1 SCFTs and then map them to 4d. The former task can be easily achieved by exploiting the fact that the 5d parent theories can be obtained as the strong coupling limit of Lagrangian theories, and the latter by understanding the behavior under compactification. Finally we identify a set of general criteria that 4d moduli spaces of vacua have to satisfy when the corresponding SCFTs are related by mass deformations and check that all our RG-flows satisfy them. Many of the mass deformations we find are not visible from the corresponding complex integrable systems.
Komar integral and Smarr formula for axion-dilaton black holes versus S duality
Authors: Mitsios Dimitrios , Ortín Tomás , Pereñíguez David
Published: August 2021

Abstract

We construct the Komar integral for axion-dilaton gravity using Wald’s formalism and momentum maps and we use it to derive a Smarr relation for stationary axion-dilaton black holes. While the Wald-Noether 2-form charge is not invariant under SL(2,ℝ) electric-magnetic duality transformations because Wald’s formalism does not account for magnetic charges and potentials, the Komar integral constructed with it turns out to be invariant and, in more general theories, it will be fully symplectic invariant. We check the Smarr formula obtained with the most general family of static axion-dilaton black holes.
IL-36 cytokines in inflammatory and malignant diseases: not the new kid on the block anymore
Authors: Byrne James , Baker Kevin , Houston Aileen , Brint Elizabeth
Published: August 2021

The IL-36 family of cytokines were first identified in 2000 based on their sequence homology to IL-1 cytokines. Over subsequent years, the ability of these cytokines to either agonise or antagonise an IL-1R homologue, now known as the IL-36 Receptor (IL-36R), was identified and these cytokines went through several cycles of renaming with the current nomenclature being proposed in 2010. Despite being identified over 20 years ago, it is only during the last decade that the function of these cytokines in health and disease has really begun to be appreciated, with both homeostatic functions in wound healing and response to infection, as well as pathological functions now ascribed. In the disease context, over activation of IL-36 has now been associated with many inflammatory diseases including Psoriasis and inflammatory bowel diseases, with roles in cancer also now being investigated. This review summarises the current knowledge of IL-36 biology, its role in inflammatory diseases and focuses on an emerging role for IL-36 in cancer.
Spherical Coefficients of Slice Regular Functions
Authors: Altavilla Amedeo
Published: August 2021

Given a quaternionic slice regular function f, we give a direct and effective way to compute the coefficients of its spherical expansion at any point. Such coefficients are obtained in terms of spherical and slice derivatives of the function itself. Afterwards, we compare the coefficients of f with those of its slice derivative $$\partial _{c}f$$

∂
c

f

obtaining a countable family of differential equations satisfied by any slice regular function. The results are proved in all details and are accompanied to several examples. For some of the results, we also give alternative proofs.
Quinoa genome assembly employing genomic variation for guided scaffolding
Authors: Bodrug-Schepers Alexandrina , Stralis-Pavese Nancy , Buerstmayr Hermann , Dohm Juliane C. , Himmelbauer Heinz
Published: August 2021

Key message

We propose to use the natural variation between individuals of a population for genome assembly scaffolding. In today’s genome projects, multiple accessions get sequenced, leading to variant catalogs. Using such information to improve genome assemblies is attractive both cost-wise as well as scientifically, because the value of an assembly increases with its contiguity. We conclude that haplotype information is a valuable resource to group and order contigs toward the generation of pseudomolecules.

Quinoa (Chenopodium quinoa) has been under cultivation in Latin America for more than 7500 years. Recently, quinoa has gained increasing attention due to its stress resistance and its nutritional value. We generated a novel quinoa genome assembly for the Bolivian accession CHEN125 using PacBio long-read sequencing data (assembly size 1.32 Gbp, initial N50 size 608 kbp). Next, we re-sequenced 50 quinoa accessions from Peru and Bolivia. This set of accessions differed at 4.4 million single-nucleotide variant (SNV) positions compared to CHEN125 (1.4 million SNV positions on average per accession). We show how to exploit variation in accessions that are distantly related to establish a genome-wide ordered set of contigs for guided scaffolding of a reference assembly. The method is based on detecting shared haplotypes and their expected continuity throughout the genome (i.e., the effect of linkage disequilibrium), as an extension of what is expected in mapping populations where only a few haplotypes are present. We test the approach using Arabidopsis thaliana data from different populations. After applying the method on our CHEN125 quinoa assembly we validated the results with mate-pairs, genetic markers, and another quinoa assembly originating from a Chilean cultivar. We show consistency between these information sources and the haplotype-based relations as determined by us and obtain an improved assembly with an N50 size of 1079 kbp and ordered contig groups of up to 39.7 Mbp. We conclude that haplotype information in distantly related individuals of the same species is a valuable resource to group and order contigs according to their adjacency in the genome toward the generation of pseudomolecules.
The medial condylar wall is a reliable landmark to kinematically align the femoral component in medial UKA: an in-silico study
Authors: Preston Benjamin , Harris Simon , Villet Loic , Mattathil Collin , Cobb Justin , Rivière Charles
Published: August 2021

Purpose

Kinematic alignment (KA) aligns the femoral implant perpendicular to the cylindrical axis in the frontal and axial plane. Identification of the kinematic axes when using the mini-invasive sub-quadricipital approach is challenging in unicompartmental knee arthroplasty (UKA). This study aims to assess if the orientation of condylar walls may be suitable for use as an anatomical landmark to kinematically align the femoral component in medial UKA. It was hypothesised that the medial wall of the medial condyle would prove to be a reliable anatomical landmark to set both the frontal and axial alignment of the femoral component in medial UKA.

Methods

73 patients undergoing medial UKA had pre-operative CT imaging to generate 3D models. Those with osteophytes that impaired visualisation of the condylar walls were excluded. 28 patients were included in the study. The ideal KA was determined using the cylindrical axis in the frontal and axial plane. Simulations using the medial wall of the medial condyle (MWMC) and the lateral wall of the medial condyle (LWMC) were performed to set the frontal alignment. To set the axial alignment, the MWMC, LWMC, medial wall of the lateral condyle (MWLC), and medial diagonal line (MDL) anatomical landmarks were investigated. Differences between the ideal measured KA values and values obtained using landmarks were investigated.

Results

Use of the MWMC let to similar frontal alignment compared to the ideal KA (2.9° valgus vs 3.4° valgus, p = 0.371) with 46.4% (13/28) of measurements being $$\le $$
≤
1.0° different from the ideal KA and only 1 simulation with greater than 4.0° difference. Use of the MWMC led to very similar axial alignments compared to the ideal KA (0.5° internal vs 0.0°, p = 0.960) with 75.0% (21/28) of measurements being $$\le $$
≤
1.0o different from the ideal KA, and a maximum difference of 3.0°. Use of the MWLC and MDL was associated with significant statistical differences when compared to the ideal KA (p < 0.001 for both).

Conclusions

The native orientation of the medial condylar wall seems to be a reliable anatomical landmark for aligning the femoral component in medial KA UKA in both the axial plane and frontal planes. Other assessed landmarks were shown to not be reliable. Clinical and radiographic assessments of the reliability of using the MWMC to set the frontal and axial orientation of the femoral component when performing a medial KA UKA are needed.
Global bifurcation of solitary waves for the Whitham equation
Authors: Truong Tien , Wahlén Erik , Wheeler Miles H.
Published: August 2021

The Whitham equation is a nonlocal shallow water-wave model which combines the quadratic nonlinearity of the KdV equation with the linear dispersion of the full water wave problem. Whitham conjectured the existence of a highest, cusped, traveling-wave solution, and his conjecture was recently verified in the periodic case by Ehrnström and Wahlén. In the present paper we prove it for solitary waves. Like in the periodic case, the proof is based on global bifurcation theory but with several new challenges. In particular, the small-amplitude limit is singular and cannot be handled using regular bifurcation theory. Instead we use an approach based on a nonlocal version of the center manifold theorem. In the large-amplitude theory a new challenge is a possible loss of compactness, which we rule out using qualitative properties of the equation. The highest wave is found as a limit point of the global bifurcation curve.
Color changes in beef meat during pan cooking: kinetics, modeling and application to predict turn over time
Authors: Moya Jara , Lorente-Bailo Silvia , Ferrer-Mairal Ana , Martínez Miguel A. , Calvo Begoña , Grasa Jorge , Salvador María L.
Published: August 2021

The kinetics of heat-induced color changes in beef meat was determined and implemented in a numerical model for double-sided pan cooking of steak. The CIELab color space was used to obtain the lightness (coordinate $$L^*$$

L
∗

) and the reddish tone (coordinate $$a^*$$

a
∗

) of the cooked meat. $$L^*$$

L
∗

was the CIELab coordinate that contributed the most to the change in the absolute color. Two response surfaces were found to describe the evolution with time and temperature of both color coordinates, $$L^*$$

L
∗

and $$a^*$$

a
∗

. The model results were successfully verified with experimental data of the two coordinates along the thickness of the meat for three degrees of cooking. The Root-Mean-Squared Errors (RMSE) for coordinate $$L^*$$

L
∗

were 5.17 (very rare), 2.02 (medium rare) and 3.83 (done), and for coordinate $$a^*$$

a
∗

1.44 (very rare), 1.26 (medium rare) and 0.89 (done). The applicability of the model for practical cooking purposes was illustrated by determining the optimum turn over time to achieve a similar color profile on both sides of the meat. The turn over time depended on the desired degrees of cooking, and were comprised between one-half and two-thirds of the final cooking time, increasing from very rare cooking degree to done cooking degree.
Coronary Artery Anomalies and Their Impact on the Feasibility of Percutaneous Pulmonary Valve Implantation
Authors: Hanser Anja , Michel Jörg , Hornung Andreas , Sieverding Ludger , Hofbeck Michael
Published: August 2021

One of the major obstacles preventing successful percutaneous pulmonary valve implantation (PPVI) is related to the close proximity of coronary artery branches to the expected landing zone. The aim of this study was to assess the frequency of coronary artery anomalies (CAAs) especially those associated with major coronary branches crossing the right ventricular outflow tract (RVOT) and to describe their relevance for the feasibility of percutaneous pulmonary valve implantation (PPVI). In our retrospective single-center study 90 patients were evaluated who underwent invasive testing for PPVI in our institution from 1/2010 to 1/2020. CAAs were identified in seven patients (8%) associated with major branches crossing the RVOT due to origin of the left anterior descending (LAD) or a single coronary artery from the right aortic sinus. In 5/7 patients with CAAs balloon testing of the RVOT and selective coronary angiographies revealed a sufficiently large landing zone distal to the coronary artery branch. While unfavorable RVOT dimensions prevented PPVI in one, PPVI was performed successfully in the remaining four patients. The relatively short landing zone required application of the “folded” melody technique in two patients. All patients are doing well (mean follow-up 3 years). CAAs associated with major coronary branches crossing the RVOT can be expected in about 8% of patients who are potential candidates for PPVI. Since the LAD crossed the RVOT below the plane of the pulmonary valve successful distal implantation of the valve was possible in 4/7 patients. Therefore these coronary anomalies should not be considered as primary contraindications for PPVI.