bluuebunny/crossref_metadata_2025 huggingface dataset:
A High‐Performance Nonlinear Optical Crystal with a Building Block Containing Expanded π‐Delocalization
Authors: Li Yanqiang , Huang Weiqi , Zhou Yang , Song Xianyu , Zheng Jieyu , Wang Han , Song Yipeng , Li Minjuan , Luo Junhua , Zhao Sangen
Published: November 2022

Common nonlinear optical (NLO) crystals consist of traditional functional building blocks with inherent optical limitation. Herein, inspired by traditional (B3O6)3− inorganic building block, we theoretically identified a new type of organic functional building blocks and then successfully synthesized the first cyamelurate NLO crystal, Ba(H2C6N7O3)2 ⋅ 8 H2O. To our surprise, the constituent (H2C6N7O3)− building block is not in structurally optimal arrangement, but Ba(H2C6N7O3)2 ⋅ 8 H2O exhibits excellent optical properties including wide band gap of 4.10 eV, very large birefringence of 0.24@550 nm, and exceptionally strong second‐harmonic generation (SHG) response of about 12×KH2PO4. Both the SHG response and birefringence are much larger than those of commercial NLO crystal β‐BaB2O4 with optimally aligned (B3O6)3− building block. Theoretical calculations suggest that the expanded π‐conjugation delocalization within (H2C6N7O3)− vs (B3O6)3− should be responsible to the enhanced performance. This work implies that there is still much room to develop new NLO crystals with excellent functional building blocks that may be longly neglected.
A monomolecular organophosphate for enhancing the flame retardancy, thermostability and crystallization properties of polylactic acid
Authors: Liu Lubin , Yan Chentao , Zhang Wenjia , Xu Yue , Xu Miaojun , Hong Yukai , Qiu Yong , Li Bin
Published: November 2022

Polylactic acid (PLA) is regarded as one of the most promising bioplastics. However, its inherent high flammability of PLA seriously limits its application in the emerging fields. Although the traditional phosphate flame retardants showed excellent flame retardant efficiency in PLA, they often failed to meet the processing requirements of PLA and the thermal stability of PLA composites was decreased after their addition. Herein, an organophosphate flame retardant pentaerythritol bis(phenyl phosphonate) (PBPP) with high thermal stability and phosphorus content was synthesized by the nucleophilic substitution reaction in our laboratory. The introduction of PBPP simultaneously improved the flame retardancy, thermostability and crystallization properties of PLA. Only 3 wt% PBPP endowed PLA composites with UL‐94 V‐0 grade and higher LOI of 28.3% due to its excellent gas phase effect. Moreover, the crystallinity of PLA/PBPP4 was enhanced from 14.2% of PLA to 32.2% with the improvement of 127%. Because of the similar structure and good compatibility between organophosphate flame retardant and PLA matrix, flame retardant PLA/PBPP maintained almost the same strength as neat PLA. This study provided a novel way for the preparation of a high‐performance flame retardant PLA composites with excellent comprehensive properties and it was important to expand the application value of multifunctional PLA materials.
Osteology and reassessment of Dineobellator notohesperus, a southern eudromaeosaur (Theropoda: Dromaeosauridae: Eudromaeosauria) from the latest Cretaceous of New Mexico
Authors: Jasinski Steven E. , Sullivan Robert M. , Carter Aja M. , Johnson Erynn H. , Dalman Sebastian G. , Zariwala Juned , Currie Philip J.
Published: November 2022

Dromaeosaurids (Theropoda: Dromaeosauridae), a group of dynamic, swift predators, have a sparse fossil record, particularly at the end of the Cretaceous Period. The recently described Dineobellator notohesperus, consisting of a partial skeleton from the Upper Cretaceous (Maastrichtian) of New Mexico, is the only diagnostic dromaeosaurid to be recovered from the latest Cretaceous of the southwestern United States. Reinterpreted and newly described material include several caudal vertebrae, portions of the right radius and pubis, and an additional ungual, tentatively inferred to be from manual digit III. Unique features, particularly those of the humerus, unguals, and caudal vertebrae, distinguish D. notohesperus from other known dromaeosaurids. This material indicates different physical attributes among dromaeosaurids, such as use of the forearms, strength in the hands and feet, and mobility of the tail. Several bones in the holotype exhibit abnormal growth and are inferred to be pathologic features resulting from an injury or disease. Similar lengths of the humerus imply Dineobellator and Deinonychus were of similar size, at least regarding length and/or height, although the more gracile nature of the humerus implies Dineobellator was a more lightly built predator. A new phylogenetic analysis recovers D. notohesperus as a dromaeosaurid outside other previously known and named clades. Theropod composition of the Naashoibito Member theropod fauna is like those found in the more northern Late Cretaceous North American ecosystems. Differences in tooth morphologies among recovered theropod teeth from the Naashoibito Member also implies D. notohesperus was not the only dromaeosaurid present in its environment.
Morphological and functional brain changes in chronic cancer‐related pain: A systematic review
Authors: Vande Vyvere Thijs , De Groote Amber , De Groef An , Haenen Vincent , Tjalma Wiebren , Van Dyck Pieter , Meeus Mira
Published: November 2022

The purpose of this study was to perform a systematic review of the available literature on morphological and functional brain changes measured by modern neuroimaging techniques in patients suffering from chronic cancer‐related pain. A systematic search was conducted in PubMed, Embase, and Web of Science using different keyword combinations. In addition, a hand search was performed on the reference lists and several databases to retrieve supplementary primary studies. Eligible articles were assessed for methodological quality and risk of bias and reviewed by two independent researchers. The search yielded only four studies, three of which used MRI and one PET‐CT. None of the studies measured longitudinal morphological (i.e., gray or white matter) changes. All studies investigated functional brain changes and found differences in specific brain regions and networks between patients with chronic cancer‐related pain and pain‐free cancer patients or healthy volunteers. Some of these alterations were found in brain networks that also show changes in non‐cancer populations with chronic pain (e.g., the default mode network and salience network). However, specific findings were inconsistent, and there was substantial variation in imaging methodology, analysis, sample size, and study quality. There is a striking lack of research on morphological brain changes in patients with chronic cancer‐related pain. Moreover, only a few studies investigated functional brain changes. In the retrieved studies, there is some evidence that alterations occur in brain networks also involved in other chronic non‐cancer pain syndromes. However, the low sample sizes of the studies, finding inconsistencies, and methodological heterogeneity do not allow for robust conclusions.
Endocranial anatomy of the Guercy 1 early Neanderthal from Baume Moula‐Guercy (Soyons, Ardèche, France)
Authors: Richards Gary D. , Jabbour Rebecca S. , Guipert Gaspard , Defleur Alban
Published: November 2022

We provide the first comparative description of the endocranium of the Guercy 1 Early Neanderthal and examine its affinities to Preneanderthals, Neanderthals, and Homo sapiens. The Guercy 1 cranium derives from deposits chronostratigraphically and biostratigraphically dated to the Eemian Interglacial (MIS 5e). For comparative purposes, we compiled a sample of European and Southwest Asian subadult and adult Middle‐to‐Late Pleistocene hominins (≈MIS 12–MIS 1; N = 65). We sampled both a Preneanderthal–Neanderthal group and a Homo sapiens group. The Preneanderthal–Neanderthal group was further divided into three time‐successive subgroups defined by associated MIS stages. Metric and morphological observations were made on original fossils and physical and virtual endocranial reconstructions. Guercy 1 and other Early Neanderthals, differ from Preneanderthals by increased development of the prefrontal cortex, precentral and postcentral gyri, inferior parietal lobule, and frontoparietal operculum. Early Neanderthal differ, in general, from Late Neanderthals by exhibiting less development in most of the latter brain structures. The late group additionally differentiates itself from the early group by a greater development of the rostral superior parietal lobule, angular gyrus, superior and middle temporal gyri, and caudal branches of the superior temporal gyrus. Endocranial morphology assessed along the Preneanderthal–Neanderthal sequence show that brain structures prominent in Preneanderthals are accentuated in Early‐to‐Late Neanderthals. However, both the Early and Late groups differentiate themselves by also showing regionally specific changes in brain development. This pattern of morphological change is consistent with a mosaic pattern of neural evolution in these Middle‐to‐Late Pleistocene hominins.
Understanding the influence of alkali cations and halogen anions on the cooperativity of cyclic hydrogen‐bonded rosettes in supramolecular stacks
Authors: Petelski Andre Nicolai , Fonseca Guerra Célia
Published: November 2022

Hydrogen‐bonded supramolecular systems are known to obtain extra stabilization from the complexation with ions, like guanine quadruplex (GQ). They experience strong hydrogen bonds due to cooperative effects. To gain deeper understanding of the interplay between ions and hydrogen‐bonding cooperativity, relativistic dispersion‐corrected density functional theory (DFT‐D) computations were performed on triple‐layer hydrogen‐bonded rosettes of ammeline interacting with alkali metal cations and halides. Our results show that when ions are placed between the stacks, the hydrogen bonds are weakened but, at the same time, the cooperativity is strengthened. This phenomenon can be traced back to the shrinkage of the cavity as the ions pull the monomers closer together and therefore the distance between the monomers becomes smaller. On one hand this results in a larger steric repulsion, but on the other hand, the donor‐acceptor interactions are enhanced due to the larger overlap between the donating and accepting orbitals leading to more charge donation and therefore an enhanced electrostatic attraction.
H∞ containment of networked MASs with disturbances, position, and velocity constraints
Authors: Chen Jie , Wang Yalin , Luo Danni , Hou Hailiang , Gui Weihua
Published: November 2022

The objective is to achieve the constrained containment of discrete‐time multiagent systems with external disturbances in directed networks. In contrast to the existing constrained containment results that ignore disturbances, this work incorporates the disturbances, the position, and velocity constraints of followers simultaneously. A projection‐based control protocol is developed to pull all followers into a target area formed by some leaders, and meanwhile, a certain level of disturbance attenuation performance is satisfied. By utilizing the multiple model transformations, convexity analysis, and the Lyapunov approach, a sufficient condition is derived to realize the constrained containment with
performance. Some simulation results are provided to demonstrate the disturbance‐rejection performance of the proposed control method.
Metal–organic frameworks for NH3 adsorption by different NH3 operating pressures
Authors: Bae Cheongwon , Gu Mingyu , Jeon Yuri , Kim Duckjong , Kim Juyeong
Published: November 2022

NH3 has been used in wide applications, such as fertilizers, hydrogen sources, and working fluids, where proper NH3 adsorbents are required to minimize human health risks in daily NH3 exposure as well as to achieve energy efficiency in energy conversion systems. As NH3 operating pressure differs from each usage, the structure and properties of the NH3 adsorbent need to be optimized in each NH3 operating pressure. Metal–organic frameworks (MOFs) have emerged as promising NH3 adsorbents, which would be customizable for different NH3 pressures due to great structural tunability. We introduce up‐to‐date reports with MOFs as NH3 adsorbents and classify them by the NH3 pressure, from high in adsorption heat pumps to extremely low in daily life sensing. MOFs with high NH3 adsorption capacity and durability are suggested in different NH3 pressure ranges, and their structural factors are discussed to help design high‐performance MOFs for NH3 adsorption in different NH3 pressures.
Urine metabolomic characteristics of female patients with occupational chronic cadmium poisoning after 15 years of treatment
Authors: Chen Xingyu , Li Guoliang , Zhang Weipeng , Ou Jiayi , Li Hecheng , Huang Yiqi , He Shuirong , Zhou Jiazhen , Zhao Zhiqiang , Chen Jiabin , Meng Xiaojing , Liu Lili
Published: November 2022

Occupational chronic cadmium poisoning (OCCP) can cause irreversible organ damage. Currently, no effective treatment is available for OCCP, and effective and sensitive biomarkers for treatment evaluation are still lacking. In this study, metabolomics techniques were used to analyze changes in endogenous metabolites in the urine of patients with OCCP after 15 years of treatment. Thirty urine samples from female patients with OCCP and healthy female controls (n = 15 per group) were assessed using gas chromatography–time‐of‐flight mass spectrometry and ultra‐high‐performance liquid chromatography–Q‐Exactive mass spectrometry. The OCCP group had higher concentrations of blood urea nitrogen and urinary cadmium but near‐normal urinary concentrations of β2‐microglobulin and retinol‐binding protein. Compared with the control group, the OCCP group had 66 significantly different metabolites with a variable importance in projection score >1 and p < 0.05. These differential metabolites were involved in various metabolic pathways, such as creatine metabolism, nicotinate and nicotinamide metabolism, the pentose phosphate pathway, d‐glutamine and d‐glutamate metabolism, and amino acid metabolism. Compared with the control group, the OCCP group had significantly higher urinary concentrations of creatine, glutamic acid, quinolinic acid and nicotinic acid. In a receiver operator characteristic analysis, the area under the curve of creatine was higher than those for glutamic acid, quinolinic acid and nicotinic acid, indicating that urinary concentrations of creatine could be used as a sensitive biomarker for the diagnosis and prognosis of OCCP and for monitoring its treatment.
Fast determination of free metronidazole in rat plasma and peritoneal fluid using HPLC‐UV method
Authors: dos Anjos Michele Vaz , Bergoza Larissa , Fonseca Gisele , Possa Eduarda , dos Santos Paulo , Moura e Silva Sidnei , Tasso Leandro
Published: November 2022

Peritonitis refers to the inflammatory reaction of the peritoneum to aggression. In addition, it contributes significantly to sepsis. The presence of free concentrations of antimicrobials above the minimum inhibitory concentration at the site of infection is critical to therapeutic response. Metronidazole (MTZ) is an antimicrobial used to treat peritonitis because of its effectiveness against anaerobic microorganisms. This study investigates free MTZ concentrations in peritoneal microdialysate in Wistar rats. A C18 column (150 × 4.0 mm, 5 μm) was used for the analysis conducted at 40°C under isocratic conditions. The mobile phase consisted of acetonitrile and an aqueous solution of 50‐mM monobasic phosphate buffer and 0.1% triethylamine, with pH 3.0 (10:90, v/v). MTZ calibration was linear in the range of 0.5–30.0 μg/ml. The intra‐ and inter‐day precision was satisfactory with relative standard deviation ≤5.67%. The accuracy ranged from 90.64 to 103.77%, and the lower limit of quantification was 0.5 μg/ml. The developed method was successfully applied in a pilot pharmacokinetic study after MTZ administration (30 mg/kg, intravenously) in rats. The main advantage of the employed method is that it does not require sample processing and protein removal steps. This is the first study to be conducted using MTZ in rats.
Development, validation and application of a gas chromatography method for the determination of dillapiole from Piper aduncum essential oil in skin permeation samples
Authors: Braga Carneiro Simone , Kreutz Tainá , Limberger Renata Pereira , da Veiga Júnior Valdir Florêncio , Koester Letícia Scherer
Published: November 2022

The essential oil extracted from the leaves of Piper aduncum has antifungal, insecticidal and antibacterial activity. Studies with its main compound, dillapiole (DIL) revealed antibacterial and anti‐inflammatory potential. Despite all this bioactivity, there is no updated report on the development and validation of analytical and bioanalytical methodology to quantify DIL in skin samples. A selective, precise, accurate and adequate method for the determination of DIL in solutions, porcine ear skin samples and receptor fluid was developed and validated by headspace extraction–gas chromatography with flame ionization detection (HS–GC–FID). HS–GC–FID was applied to determine DIL in Franz cell permeation and retention studies using porcine ear skin samples. In the HS–GC–FID method, matrix‐related interferences were not observed at the peak of the DIL retention time. The results showed a high recovery (>97%) after the extraction procedure, allowing the quantification of DIL in complex matrices. In vitro permeation/retention for DIL showed cumulative amounts permeated in the order: receptor fluid (21.98 ± 1.19 μg/cm2) > epidermis (15.40 ± 1.20 μg/cm2) > dermis (9.52 ± 1.13 μg/cm2). HS–GC–FID was successfully validated and the results point to DIL transdermal permeation and to the potential to develop pharmaceutical formulations for skin delivery to treat inflammation or infections.
Abnormal downregulation of 10‐formyltetrahydrofolate dehydrogenase promotes the progression of oral squamous cell carcinoma by activating PI3K/Akt/Rb pathway
Authors: Qu Yi , He Ying , Ruan Hanjin , Qin Lizheng , Han Zhengxue
Published: November 2022

Background

10‐formyltetrahydrofolate dehydrogenase (ALDH1L1) is a major folate enzyme, which is usually underexpressed in malignant tumors and competes with tumors for the same folate substrate. However, the specific role and mechanisms of ALDH1L1 in oral squamous cell carcinoma (OSCC) remainsobscure.

Methods

The expression level of ALDH1L1 in paired OSCC tissues and adjacent noncancerous tissues were detected by quantitative realtime PCR, Western blot and immunohistochemistry. The relationship between ALDH1L1 expression and clinical characteristics was analyzed. Besides, CCK8, EdU staining, colony formation, wound healing, transwell invasion, apoptosis, cell cycle assays and nude mice tumor bearing experiments were employed to assess the role of ALDH1L1 in OSCC. To explore the underlying mechanisms of these effects, cell cycle‐related markers were examined.

Results

In this study, we revealed that ALDH1L1 expression was significantly reduced in OSCC, and its downregulation was associated with the malignancy of the tumor and poor prognosis of patients. In vivo and in vitro experiments, downregulation of ALDH1L1 in OSCC significantly inhibited the occurrence of NADP+‐dependent catalytic reactions and facilitated tumor cell growth, migration, invasion, survival, cell cycle progression, and xenograft tumor growth. On the contrary, re‐expression of ALDH1L1 plays a similar role to anti‐folate therapy, promoting NADPH production and suppressing the progression of OSCC. Furthermore, ALDH1L1 overexpressing obviously inhibited the expression of PI3K, p‐Akt, CDK2, CDK6, Cyclin D1, Cyclin D3, and Rb in OSCC cells, and promoted the expression of p27. LY294002 and 740 Y‐P were used to confirm the inhibitory effects of ALDH1L1 on OSCC progression through PI3K/Akt/Rb pathway.

Conclusion

Our findings highlight the clinical value of ALDH1L1 as a prognostic marker and the potential of a new target for anti‐folate therapy.
Comparison of different methods of obturator nerve block in transurethral resection of bladder tumors: A systematic review and network meta‐analysis
Authors: Wu Jinhao , Gao Yafen , Xiong Zhiyong , Xiao Xiong , Yang Jun , Yang Xiong , Huang Yu
Published: November 2022

Background

Bladder cancer is the most common malignancy of the urinary system, and accounts for 3% of newly diagnosed tumors. Transurethral resection of bladder tumor plays a key role in treating bladder cancer, among which one of the most serious complications is bladder perforation caused by obturator nerve reflex. Obturator nerve reflex can be prevented by inducing obturator nerve block after lumbar anesthesia. However, No study so far has compared the inhibitory effect of different obturator nerve block approaches on intraoperative obturator nerve reflex and bladder perforation.

Method

In this study, we conducted a network meta‐analysis (NMA) of studies comparing the efficacy of different obturator nerve block approaches performed after lumbar anesthesia in operation.

Result

The distal obturator nerve block guided by peripheral nerve stimulator is the best approach for preventing obturator reflex. The proximal obturator nerve block guided by ultrasound is the best approach for preventing bladder perforation.

Conclusion

Spinal anesthesia combined with the distal obturator nerve block guided by peripheral nerve stimulator is the most optimal approach to prevent the obturator nerve reflex. But the doctor should choose the appropriate anesthesia method according to the patient's general condition, tumor location, and doctor's proficiency in puncture techniques.
T cell‐inflamed gene expression profile is associated with favorable disease‐specific survival in non‐hypermutated microsatellite‐stable colorectal cancer patients
Authors: Yin Hang , Harrison Tabitha A. , Thomas Sushma S. , Sather Cassie L. , Koehne Amanda L. , Malen Rachel C. , Reedy Adriana M. , Wurscher Michelle A. , Hsu Li , Phipps Amanda I. , Zaidi Syed H. E. , Newcomb Polly A. , Peters Ulrike , Huyghe Jeroen R.
Published: November 2022

Background

The anti‐tumor immune response plays a key role in colorectal cancer (CRC) progression and survival. The T cell‐inflamed gene expression profile (GEP) is a biomarker predicting response to checkpoint inhibitor immunotherapy across immunogenic cancer types, but the prognostic value in CRC is unknown. We evaluated associations with disease‐specific survival, somatic mutations, and examined its differentially expressed genes and pathways among 84 sporadic CRC patients from the Seattle Colon Cancer Family Registry.

Methods

Gene expression profiling was performed using Nanostring's nCounter PanCancer IO 360 panel. Somatic mutations were identified by a targeted DNA sequencing panel.

Results

The T cell‐inflamed GEP was positively associated with tumor mutation burden and microsatellite instability high (MSI‐H). Higher T cell‐inflamed GEP had favorable CRC‐specific survival (hazard ratio [HR] per standard deviation unit = 0.50, p = 0.004) regardless of hypermutation or MSI status. Analysis of recurrently mutated genes having at least 10 mutation carriers, suggested that the T cell‐inflamed GEP is positively associated with RYR1, and negatively associated with APC. However, these associations were attenuated after adjusting for hypermutation or MSI status. We also found that expression of genes RPL23, EPCAM, AREG and ITGA6, and the Wnt signaling pathway was negatively associated with the T cell‐inflamed GEP, which might indicate immune‐inhibitory mechanisms.

Conclusions

Our results show that the T cell‐inflamed GEP is a prognostic biomarker in non‐hypermutated microsatellite‐stable CRC. This also suggests that patient stratification for immunotherapy within this CRC subgroup should be explored further. Moreover, reported immune‐inhibitory gene expression signals may suggest targets for therapeutic combination with immunotherapy.
Accelerated Polyethylene Terephthalate (PET) Enzymatic Degradation by Room Temperature Alkali Pre‐treatment for Reduced Polymer Crystallinity
Authors: Giraldo‐Narcizo Sariah , Guenani Nihal , Sánchez‐Pérez Ana María , Guerrero Antonio
Published: November 2022

Polyethylene terephthalate (PET) is the most widely employed plastic for single‐use applications. The use of enzymes isolated from microorganisms, such as PETase with the capacity to hydrolyze PET into its monomers, represents a promising method for its sustainable recycling. However, the accessibility of the enzyme to the hydrolysable bonds is an important challenge that needs to be addressed for effective biodegradation of postconsumer PET. Here, we combined an alkali pre‐treatment (25 °C) with PETase incubation (30 °C) with post‐consumed PET bottles. The pre‐treatment modifies the surface of the plastic and decreases its crystallinity enabling the access of the enzyme to the hydrolysable chemical bonds. When the alkali pre‐treatment is incorporated into the enzymatic process the degradation yields increase more than one order of magnitude reaching values comparable to those obtained during heating/cooling cycles. Our results show energetic advantages over other reported pre‐treatments and open new avenues for sustainable PET recycling.
Biosynthetic Pathways of Dimeric Natural Products Containing Bisanthraquinone and Related Xanthones
Authors: Yuan Zhenbo , Xu Huibin , Zhang Yan , Rao Yijian
Published: November 2022

Many dimeric natural products containing bisanthraquinone and related xanthones with diverse structures and versatile bioactivities have been isolated over the years. However, the complicated biosynthetic pathways of such natural products, which have remained elusive until recently, negatively impact their mass bioproduction and biosynthetic structural modification for drug discovery. In this concept, we summarize the recent progress in gene cluster mining and biosynthetic pathway elucidation of natural products containing bisanthraquinone and related xanthones. These pioneering works may pave the way for further biosynthetic pathway elucidation and structure modification of dimeric natural products through gene and protein engineering.
Meckel's diverticulum causing acute intestinal obstruction: A case series
Authors: Bhattarai Himal Bikram , Bhattarai Madhur , Shah Sangam , Singh Aakriti , Yadav Saroj Kumar , Yadav Binita Kumari , Uprety Manish , Subedi Ayusha , Singh Prabesh Bikram , Priya Anshu
Published: November 2022

Meckel's diverticulum (MD) is the most common congenital anomaly of the gastrointestinal tract. Most cases are asymptomatic and when symptomatic, preoperative diagnosis of MD is poor. Intestinal obstruction, Malena or hematochezia, and inflammation are major symptoms. We report three cases of 18‐month, 2‐year, and 9‐year old male patients presenting with intestinal obstruction.
Laryngotracheal separation surgery in a patient with severe Angelman syndrome involving a 19.3 Mb deletion on 15q11.2–q14
Authors: Horikawa Yohei , Yatsuga Shuichi , Ohya Takashi , Okamatsu Yuki
Published: November 2022

A severe Angelman syndrome (AS) patient with a very large deletion (19.3 Mb) at 15q11.2‐q14 required laryngotracheal separation, which is not a common surgery in AS. Comparative genomic hybridization‐based microarrays can be useful to confirm deletion size and clinical severity.
NMR chiral recognition of lipoic acid by cinchonidine CSA: A stereocenter beyond the organic function
Authors: Marta Talia Behnen , Argondizzo Augusto Cardozo , da Silva Oliboni Robson , Silva Márcio Santos
Published: November 2022

Alpha‐lipoic acid is a natural product that possesses distinct pharmacological properties. Lipoic acid is a short‐chain fatty acid containing an asymmetric carbon at five bonds of distance to the organic function. Herein, we developed a nuclear magnetic resonance protocol to access the chiral recognition of lipoic acid in a simple and rapid procedure employing cinchonidine as a cheap chiral solvation agent in deuterated chloroform. To optimize this method, a statistical design of the experimental model was performed to produce a clear understanding of the optimal concentration, temperature, and molar ratio parameters. Based on the obtained spectra, the cinchonidine H8‐H9 scalar coupling indicated a conformational preference in the chiral discrimination procedure. Density functional theory calculations established a proximity between the asymmetric center of lipoic acid and the aromatic moiety of cinchonidine, clarifying possible conformations in this ion‐pair interaction. The described protocol demonstrates how far is far enough to chiral discrimination using a chiral solvation agent, expanding the method to compounds that contain a remote stereocenter.
Prognostic modeling of cutaneous melanoma stage I patients using cancer registry data identifies subsets with very‐low melanoma mortality
Authors: Eguchi Megan M. , Elder David E. , Barnhill Raymond L. , Piepkorn Michael W. , Knezevich Stevan R. , Elmore Joann G. , Kerr Kathleen F.
Published: November 2022

Background

Evidence exists that escalating melanoma incidence is due in part to overdiagnosis, the diagnosis of lesions that will not lead to symptoms or death. The authors aimed to characterize subsets of melanoma patients with very‐low risk of death that may be contributing to overdiagnosis.

Methods

Melanoma patients diagnosed in 2010 and 2011 with stage I lesions ≤1.0 mm thick and negative clinical lymph nodes from the Surveillance, Epidemiology, and End Results database were selected. Classification and regression tree and logistic regression models were developed and validated to identify patients with very‐low risk of death from melanoma within 7 years. Logistic models were also used to identify patients at higher risk of death among this group of stage I patients.

Results

Compared to an overall 7‐year mortality from melanoma of 2.5% in these patients, a subset comprising 25% had a risk below 1%. Younger age at diagnosis and Clark level II were associated with low risk of death in all models. Breslow thickness below 0.4 mm, absence of mitogenicity, absence of ulceration, and female sex were also associated with lower mortality. A small subset of high‐risk patients with >20% risk of death was also identified.

Conclusion

Patients with very‐low risk of dying from melanoma within 7 years of diagnosis were identified. Such cases warrant further study and consensus discussion to develop classification criteria, with the potential to be categorized using an alternative term such as “melanocytic neoplasms of low malignant potential.”

Lay summary

Although melanoma is the most serious skin cancer, most melanoma patients have high chances of survival.

There is evidence that some lesions diagnosed as melanoma would never have caused symptoms or death, a phenomenon known as overdiagnosis.

In this study, we used cancer registry data to identify a subset of early‐stage melanoma patients with almost no melanoma deaths.

Using two statistical approaches, we identified patients with <1% risk of dying from melanoma in 7 years.

Such patients tended to be younger with minimal invasion into the skin.

We also identified a very small patient subset with higher mortality risk.
Representative‐discriminativedictionary learning algorithm for human action recognition using smartphone sensors
Authors: Rajamoney Jansi , Ramachandran Amutha
Published: November 2022

With the advancement of mobile computing, understanding, and interpretation of human activities has become increasingly popular as an innovative human computer interaction application over the past few decades. This article presents a new scheme for action recognition based on sparse representation theory using a novel dictionary learning algorithm. This system employs two types of inertial signals from smartphones namely, accelerometer and gyroscope sensory data. Attainment of higher values of classification accuracy depends on the creation of effective dictionaries that completely retain the important features of every action while maintaining the least correlation with the features of other actions. Accordingly, in this research, we propose a new algorithm for learning dictionaries with two levels of dictionary training that aims at learning a compact, representative, and discriminative dictionary for each class. Unlike typical dictionary learning algorithms that aim at the creation of dictionaries that best represents the features of each class, our proposed algorithm incorporates a discriminative criterion that eventually produces better classification results. To validate the proposed framework, all the experiments were performed using three publicly available datasets.
Improved single shot detection using DenseNet for tiny target detection
Authors: Wang Shudi , Xu Manman , Sun Ying , Jiang Guozhang , Weng Yaoqing , Liu Xin , Zhao Guojun , Fan Hanwen , Li Jun , Zou Cejing , Xie Yuanmin , Huang Li , Chen Baojia
Published: November 2022

As the development of deep learning and the continuous improvement of computing power, as well as the needs of social production, target detection has become a research hotspot in recent years. However, target detection algorithm has the problem that it is more sensitive to large targets and does not consider the feature‐feature interrelationship, which leads to a high false detection or missed detection rate of small targets. An small target detection method (C‐SSD) based on improved SSD is proposed, that replaces the backbone network VGG‐16 of the SSD network with the improved dense convolution network (C‐DenseNet) network to achieves further feature fusion through fast connections between dense blocks. The Introduction of residuals in the prediction layer and DIoU‐NMS further improves the detection accuracy. Experimental results demonstrate that C‐SSD outperforms other networks at three different image scales and achieves the best performance of 83. A 8% accuracy on the PASCAL VOC2007 test set, proving the effectiveness of the algorithm. C‐SSD achieves a better balance of speed and accuracy, showing excellent performance in rapid detection of small targets.
Suicidal ideation and attempts in adults seeking outpatient psychodynamic psychotherapy
Authors: Singer Susanne , Sievers Luisa , Scholz Ida , Taylor Katherine , Blanck Julian , Maier Lena
Published: November 2022

Suicide is an important cause of death in patients with mental health disorders, but little is known about the occurrence of suicidal ideation and attempts in outpatient psychotherapy patients. The aim of this study was to identify the proportion of patients with and correlates of suicidal ideation and attempts in community‐based psychotherapy practices. Using 983 applications for reimbursement of psychotherapy from individual patients, reports about suicidal thoughts and suicide attempts were extracted along with demographic, biographic and clinical data. Multivariate logistic regression analysis was used to identify correlates of suicidal ideation and attempts by calculating odds ratios (ORs). Among the patients, 19% presented with suicidal thoughts (11% currently and 8% in the past) and 6% with suicide attempts. Important correlates of suicidal thoughts were male gender (OR 1.7), lower education (OR 1.8), early retirement (OR 2.9), death of a parent when younger than 5 years old (OR 3.3), violence experienced from various people (OR 2.1), self‐harm behaviour (OR 7.9) and alcohol misuse (OR 1.7). Suicide attempts were associated with male gender (OR 5.6), lower education (OR 4.2), violence experienced from partner (OR 2.5) or from various people (OR 9.5) and self‐harm behaviour (OR 15.0). These results show that the proportion of suicidal patients seeking outpatient psychotherapy is high. It should therefore be a central topic in clinical training. Biographic data such as the loss of a parent at an early age or experiencing violence are associated with who is at increased risk and should be explored in detail.
Variation for turfgrass performance in a set of Lolium perenne germplasm evaluated under limited irrigation
Authors: Robins Joseph G. , Bushman B. Shaun
Published: November 2022

Perennial ryegrass (Lolium perenne L.) is a major turfgrass species in temperate regions around the world. Unfortunately, it lacks drought tolerance compared with other cool‐season turfgrass species and often requires substantial inputs of freshwater as supplemental irrigation to achieve high turfgrass quality. To address the need for more drought‐tolerant perennial ryegrass, we conducted an evaluation of perennial ryegrass germplasm from the U.S. National Plant Germplasm System under deficit irrigation conditions and two mowing heights at Kaysville and Logan, UT during 2017 and 2018. We characterized turfgrass dark green color, ground cover, density, and quality using digital photography to capture images that we then converted to trait values using the TurfAnalyzer software. The higher mowing height resulted in greater ground cover, density, and quality. The collection of 49 germplasm accessions and 11 cultivars exhibited substantial variation for turfgrass dark green color, ground cover, density, and quality. Cultivars included as checks generally had greater turfgrass color and density, but the germplasm accessions generally had greater turfgrass ground cover and quality. Selection among these germplasm accessions will provide elite germplasm with utility for improving these traits in applied perennial ryegrass turfgrass breeding programs.
A comparative study between trait selections and marker‐assisted selections to improve fiber strength in upland cotton
Authors: Zeng Linghe , Fang David D. , Li Ping , Delhom Christopher D.
Published: November 2022

A determination of efficiency in the use of marker‐assisted selection (MAS) for improving cotton (Gossypium hirsutum L.) fiber quality is critical for a successful utilization of MAS in cotton breeding. This study was designed to determine selection responses and realized heritability (h2) of fiber strength selected by MAS in comparison with phenotype selections by traditional breeding. Previously identified single‐sequence repeats markers, CGR6764 and DPL0852, flanking a fiber strength quantitative trait locus on chromosome A07 were used in MAS. Two genetic populations, MD15/TAM98D‐99ne (Pop 1) and TAM98D‐99ne/UA48 (Pop 2), were developed. F2 plants were selected by three methods based on (1) phenotype, (2) combined marker‐genotype and phenotype (MAS‐1), and (3) marker‐genotype alone (MAS‐2) in Pop 1 and two methods based on phenotype and MAS‐1 in Pop 2. F3 progeny rows derived from the selected F2 plants were planted with two replicates in 2019. In Pop 1, the fiber strength mean of the selected F3 progenies was in an order of MAS‐1 > MAS‐2 > phenotype selection. In Pop 2, there was no significant difference in strength between F3 progenies derived from selections by MAS‐1 and phenotypic breeding. In Pop 1, h2 of MAS selections was higher than phenotype selections. In Pop 2, h2 of MAS selections was similar to the phenotype selections. The results indicate that selection efficiency by MAS for fiber strength is better than or equivalent to phenotype selection.
Comprehensive profiling of the human viral exposome in households containing an at‐risk child with mitochondrial disease during the 2020–2021 COVID‐19 pandemic
Authors: Gordon‐Lipkin Eliza M. , Marcum Christopher S. , Kruk Shannon , Thompson Elizabeth , Kelly Sophie E. M. , Kalish Heather , Bellusci Lorenza , Khurana Surender , Sadtler Kaitlyn , McGuire Peter J.
Published: November 2022

Background

Viral infection is a major cause of morbidity in children with mitochondrial disease (MtD). As a result, families with children with MtD are highly adherent to risk mitigation behaviours (RMBs) advised by the Centers for Disease Control and Prevention during the COVID‐19 pandemic that can modulate infection risk.

Methods

Deep serologic phenotyping of viral infections was performed via home‐based sampling by combining SARS‐CoV‐2 serologic testing and phage display immunoprecipitation and sequencing. Samples were collected approximately 1 year apart (October 2020 to April 2021 and October 2021 to March 2022) on households containing a child with MtD.

Results

In contrast to our first collection in 2020–2021, SARS‐CoV‐2 antibody profiles for all participants in 2021–2022 were marked by greater isotype diversity and the appearance of neutralizing antibodies. Besides SARS‐CoV‐2, households (N = 15) were exposed to >38 different respiratory and gastrointestinal viruses during the study, averaging five viral infections per child with MtD. Regarding clinical outcomes, children with MtD (N = 17) experienced 34 episodes of illness resulting in 6 hospitalizations, with some children experiencing multiple episodes. Neurologic events following illness were recorded in five patients. Infections were identified via clinical testing in only seven cases. Viral exposome profiles were consistent with clinical testing and even identified infections not captured by clinical testing.

Conclusions

Despite reported adherence to RMBs during the COVID‐19 pandemic by families with a child with MtD, viral infection was pervasive. Not all infections resulted in illness in the child with MtD, suggesting that some were subclinical or asymptomatic. However, selected children with MtD did experience neurologic events. Our studies emphasize that viral infections are inexorable, emphasizing the need for further understanding of host‐pathogen interactions through broad serologic surveillance.
Single‐cell RNA sequencing reveals cellular and molecular reprograming landscape of gliomas and lung cancer brain metastases
Authors: Sun He‐Fen , Li Liang‐Dong , Lao I‐Weng , Li Xuan , Xu Bao‐Jin , Cao Yi‐Qun , Jin Wei
Published: November 2022

Background

Brain malignancies encompass gliomas and brain metastases originating from extracranial tumours including lung cancer. Approximately 50% of patients with lung adenocarcinoma (LUAD) will eventually develop
brain metastases. However, the specific characteristics of gliomas and lung‐to‐brain metastases (LC) are largely unknown.

Methods

We applied single‐cell RNA sequencing to profile immune and nonimmune cells in 4 glioma and 10 LC samples.

Results

Our analysis revealed that tumour microenvironment (TME) cells are present in heterogeneous subpopulations. LC reprogramed cells into immune suppressed state, including microglia, macrophages, endothelial cells, and CD8+ T cells, with unique cell proportions and gene signatures. Particularly, we identified that a subset of macrophages was associated with poor prognosis. ROS (reactive oxygen species)‐producing neutrophils was found to participant in angiogenesis. Furthermore, endothelial cells participated in active communication with fibroblasts. Metastatic epithelial cells exhibited high heterogeneity in chromosomal instability (CIN) and cell population.

Conclusions

Our findings provide a comprehensive understanding of the heterogenicity of the tumor microenvironment and tumour cells and it will be crucial for successful immunotherapy development for brain metastasis of lung cancer.
Dapagliflozin in patients with heart failure with mildly reduced and preserved ejection fraction treated with a mineralocorticoid receptor antagonist or sacubitril/valsartan
Authors: Yang Mingming , Butt Jawad H. , Kondo Toru , Jering Karola S. , Docherty Kieran F. , Jhund Pardeep S. , de Boer Rudolf A. , Claggett Brian L. , Desai Akshay S. , Hernandez Adrian F. , Inzucchi Silvio E. , Kosiborod Mikhail N. , Lam Carolyn S.P. , Langkilde Anna Maria , Martinez Felipe A. , Petersson Magnus , Shah Sanjiv J. , Vaduganathan Muthiah , Wilderäng Ulrica , Solomon Scott D. , McMurray John J.V.
Published: November 2022

Aims

The effects of adding a sodium–glucose cotransporter 2 (SGLT2) inhibitor to a mineralocorticoid receptor antagonist (MRA) or an angiotensin receptor–neprilysin inhibitor (ARNI) in patients with heart failure (HF) and mildly reduced ejection fraction (HFmrEF) and preserved ejection fraction (HFpEF) are uncertain, even though the use of all three drugs is recommended in recent guidelines.

Methods and results

The efficacy and safety of dapagliflozin added to background MRA or ARNI therapy was examined in patients with HFmrEF/HFpEF enrolled in the DELIVER trial. The primary outcome was the composite of worsening HF or cardiovascular death. Of 6263 patients, 2667 (42.6%) were treated with an MRA and 301 (4.8%) with an ARNI at baseline. Patients taking either were younger, more often men and had lower systolic blood pressure and ejection fraction; they were also more likely to have prior HF hospitalization. The benefit of dapagliflozin was similar whether patients were receiving these therapies. The hazard ratio for the effect of dapagliflozin compared to placebo on the primary outcome was 0.86 (95% confidence interval [CI] 0.74–1.01) for MRA non‐users versus 0.76 (95% CI 0.64–0.91) for MRA users (pinteraction = 0.30). The corresponding values for ARNI non‐users and users were 0.82 (95% CI 0.73–0.92) and 0.74 (95% CI 0.45–1.22), respectively (pinteraction = 0.75). None of the adverse events examined was more common with dapagliflozin compared to placebo overall or in the MRA and ARNI subgroups.

Conclusions

The efficacy and safety of dapagliflozin were similar, regardless of background treatment with an MRA or ARNI. SGLT2 inhibitors may be added to other treatments recommended in recent guidelines for HFmrEF/HFpEF.
Comparative Assessment of Microplastics in Surface Waters and Sediments of the Vaal River, South Africa: Abundance, Composition, and Sources
Authors: Ramaremisa Gibbon , Ndlovu Michelle , Saad Dalia
Published: November 2022

We extracted microplastics from surface water and sediment samples from the Vaal River in Johannesburg, South Africa. Average abundances of 0.61 ± 0.57 particles/m3and 4.6 × 102 ± 2.8 × 102 particles/kg dry weight were recorded for water and sediment samples, respectively. In both sediment and water samples, more than 80% of microplastics were fragments and fibers of smaller than 2 mm. High-density polyethylene, low-density polyethylene, and polypropylene were the dominant polymers identified in both sample types. In addition, polyethylene co-vinyl acetate, polyester, polyurethane, and polyethylene/hexene-1-copolymer were also detected in sediment samples. Colored microplastics were the most commonly observed in both sample types; pigment yellow 83 was detected in surface water, and carbon black was detected in both sediment and water samples during Raman analysis. Taking into consideration the physical and chemical characteristics of the detected microplastics, their potential sources include inflow from tributaries, surface run-off from urban city centers, recreational activities, and wastewater effluent from industries and households. Environ Toxicol Chem 2022;41:3029–3040. © 2022 The Authors. Environmental Toxicology and Chemistry published by Wiley Periodicals LLC on behalf of SETAC.