bluuebunny/crossref_metadata_2025 huggingface dataset:
Analysis of shell anomalies in the Spanish upper cretaceous basal pan‐pleurodire Dortoka vasconica (Dortokidae)
Authors: Guerrero Andrea , Pérez‐García Adán
Published: August 2022

The study of pathological bone modifications of extinct organisms of lineages, which are still living today, in combination with extant representatives, allows to infer data about population dynamics, lifestyle, and diseases they were subject to. Pathological studies in turtles are extensive; however, these contributions are mainly focused on extant representative records of survival rates or on non‐skeletonized material, and do not generally include morphological descriptions, illustrations, or data concerning their etiology and pathogenesis. As a consequence, paleopathology in turtles remains relatively poorly understood, especially considering extinct forms. In this context, we herein analyze marks of possible pathological origin recognized in two disarticulated plastral plates of the Spanish freshwater basal pan‐pleurodiran turtle Dortoka vasconica (Dortokidae), from its type locality, the Upper Cretaceous (late Campanian‐early Maastrichtian) fossil site of Laño 1 (Treviño County, Burgos, Spain). As a result, information regarding the possible etiology, pathogenesis, and stages of healing of the marks studied here are provided. A probable infectious origin is recognized as the etiology in both plates, these marks being considered as pathologies. This study contributes to our understanding of pathologies in extinct turtle taxa, specifically a stem‐pleurodiran turtle.
Cytotoxic derivatives of dichloroacetic acid and some metal complexes
Authors: Hossain Mohammad , Roth Shayne , Dimmock Jonathan R. , Das Umashankar
Published: August 2022

This study outlines a number of studies of dichloroacetic acid (DCA) and some of its derivatives. Although DCA has low cytotoxic potencies, various structural modifications are described which result in potent cytotoxins. In particular, hybrid molecules created from DCA and other bioactive molecules whose modes of action differ from DCA are particularly promising as candidate anticancer agents. Considerable emphasis in this review is placed on various series of compounds that incorporate both platinum and DCA into their structures. In addition, the importance of the formulation of some of the bioactive compounds described herein is revealed.
Self‐assembling Peptides with Internal Ionizable Unnatural Amino Acids: A General Approach to pH‐responsive Peptide Materials
Authors: Asokan‐Sheeja Haritha , Yang Su , Adones Ashley A. , Chen Weike , Fulton Brandon B. , Chintapula Uday K. , Nguyen Kytai T. , Lovely Carl J. , Brautigam Chad A. , Nam Kwangho , Dong He
Published: August 2022

Self‐assembled peptides are an emerging family of biomaterials that show great promise for a range of biomedical and biotechnological applications. Introducing and tuning the pH‐responsiveness of the assembly is highly desirable for improving their biological activities. Inspired by proteins with internal ionizable residues, we report a simple but effective approach to constructing pH‐responsive peptide assembly containing unnatural ionic amino acids with an aliphatic tertiary amine side chain. Through a combined experimental and computational investigation, we demonstrate that these residues can be accommodated and stabilized within the internal hydrophobic compartment of the peptide assembly. The hydrophobic microenvironment shifts their pKa significantly from a basic pH typically found for free amines to a more biologically relevant pH in the weakly acidic range. The pH‐induced ionization and ionization‐dependent self‐assembly and disassembly are thoroughly investigated and correlated with the biological activity of the assembly. This new approach has unique advantages in tuning the pH‐responsiveness of self‐assembled peptides across a large pH range in a complex biological environment. We anticipate the ionizable amino acids developed here can be widely applicable to the synthesis and self‐assembly of many amphiphilic peptides with endowed pH‐responsive properties to enhance their biological activities toward applications ranging from targeted therapeutic delivery to proton transport.
Selenium‐Electrocatalytic Cyclization of 2‐Vinylanilides towards Indoles of Peptide Labeling
Authors: Zeng Shaogao , Fang Songlin , Cai Haiping , Wang Dong , Liu Weiliang , Hu Xinwei , Sun Pinghua , Ruan Zhixiong
Published: August 2022

A novel selenium‐electrocatalytic intramolecular cyclization of 2‐vinylanilides for synthesis of functionalized indoles and azaindoles has been developed. In contrast to the previous synthetic methods, this sustainable protocol enabled unparalleled broad substrates scope for viable indoles with highly functional and sensitive groups by employing recyclable selenium catalyst, under mild, metal‐ and external‐oxidant‐free conditions. The approach can be used to the late‐stage modification of complex bioactive molecular system, thereby setting the stage for versatile syntheses of decorated indoles with peptide labeling. A plausible catalytic pathway was proposed.
Evaluation of fungal consortium lignozyme for biodelignification of agricultural residues
Authors: Kaur Gill Mandeep , Kocher Gurvinder Singh , Singh Panesar Alla
Published: August 2022

Two fungal cultures Pleurotus ostreatus (PAU03) and Phanerochaete chrysosporium (MTCC 787) were investigated for their ability to produce ligninolytic enzymes – mainly laccase (Lacc), manganese peroxidase (MnP) and lignin peroxidase (LiP) – under solid‐state fermentation (SSF) conditions, using corn stover as a substrate. Crude LiP, MnP, and Lacc demonstrated specific activity of 11.65 U/mg, 14.9 U/mg and 9.84 U/mg, respectively. The precipitation of crude extract by 70% acetone and subsequent Diethyl amino ethyl (DEAE)‐cellulose ion exchange chromatography resulted in 2.24, 1.23 and 2.60‐fold purification of LiP, MnP and Lac activities, respectively with corresponding specific activities of 26.14 U/mg (LiP), 18.33 U/mg (MnP) and 25.67 U/mg (Lacc) in the partially purified ligninozymes. The latter showed three distinct bands of 40–56 kDA when resolved with sodium dodecyl‐sulfate polyacrylamide gel electrophoresis (SDS‐PAGE). The optimum pH was 6.5 for Lacc and LiP, and 3.0 for MnP, with an optimum temperature of 40 °C. The partially purified laccase had Km of 0.044 mmol L−1/min and Vmax of 222.22 U/mL. Ca2+ and Mn2+ ions increased ligninozyme activity with an increase in concentration from 0.5–5 mmol L−1. Cu2+ ions inhibited ligninozyme activity. The ligninozyme‐assisted pretreatment of wheat straw, rice straw, corn stover, and corn cobs revealed delignification in the range of 70 to 80.3%. The corresponding cellulose and hemicellulose recovery ranged between 58.5 to 65.4% and 38.4 to 47.6%, respectively. © 2022 Society of Chemical Industry and John Wiley & Sons, Ltd.
A scenario for the origin of life: Volume regulation by bacteriorhodopsin required extremely voltage sensitive Na‐channels and very selective K‐channels
Authors: Naranjo David
Published: August 2022

The osmotic activity produced by internal, non‐permeable, anionic nucleic acids and metabolites causes a persistent and life‐threatening cell swelling, or cellular edema, produced by the Gibbs‐Donnan effect. This evolutionary‐critical osmotic challenge must have been resolved by LUCA or its ancestors, but we lack a cell‐physiology look into the biophysical constraints to the solutions. Like mycoplasma, early cells conceivably preserved their volume with Cl−, Na+, and K+‐channels, Na+/H+‐exchangers, and a light‐dependent bacteriorhodopsin‐like H+‐pump. Here, I simulated protocells having these ionic‐permeabilities and inhabiting an oceanic pond before the Great‐Oxygenation‐Event. Protocells showed better volume control and stable resting potentials at lower external pH and higher temperatures, favoring a certain type of extremophile life. Prevention of Na+‐influx at night, with low bacteriorhodopsin activity, required deep shutdown of highly voltage‐sensitive Na+‐channels and extremely selective K+‐channels, two conserved features essential for modern neuronal encoding. The Gibbs‐Donnan effect universality implies that extraterrestrial cells, if they exist, may reveal similar volume‐controlling mechanisms.
Hanging the coat on a collar: Same function but different localization and mechanism for COPII
Authors: Malis Yehonathan , Hirschberg Koret , Kaether Christoph
Published: August 2022

An entirely different mechanism and localization were recently proposed for the COPII coat complex, challenging its well‐accepted function to select and concentrate cargo into small COPII‐coated spherical transport vesicles. Instead, the COPII complex is suggested to form a dynamic yet stationary collar that forms a boundary between the ER and the ER export membrane domain. This membrane domain, the ER exit site (ERES), is the site of COPII‐mediated sorting and concentration of transport competent proteins. Subsequently, the ERES is implicated to mature and bud to form a sizeable pleiomorphic transport carrier that translocate on microtubules to fuse with the Golgi apparatus. Despite this drastic mechanistic dogma shift, most of the underlying protein‐protein and protein‐membrane interactions remain unchanged. Here, we attempt to provide a detailed description of the newly proposed model of how ER to Golgi transport works by describing the role of several essential proteins of the transport machinery.
Synthesis and photometric properties of efficient white‐emitting phosphor of M‐AMG transition metal complexes for OLED applications
Authors: Swathika Manoharan , Natarajan Arunadevi
Published: August 2022

Progression in lighting sources mainly depended on new, robust energy‐efficient diodes due to their advanced photometric properties. All organic light‐emitting sources are constant energy‐efficient devices and will be the light of the future. We explore the potential of transition metal complexes by focusing on cobalt(II), nickel(II), and copper (II) with aminoguanidine naphthoate as white phosphors in organic light‐emitting diodes (OLEDs). The phosphors synthesized at optimized temperature were characterized structurally and thermally by spectral, thermal, and diffraction techniques. The photophysical studies of the target compound in several organic solvents having divergent polarity were also studied, and the results were exhibited. Photometric properties of the complexes were studied using photoluminescence, CIE (Commission internationale de l'éclairage) chromaticity coordinates, correlated color temperature, color purity, Duv, and TLCI (Television Lighting Consistency Index) to verify the applicability of complexes as phosphors. Excellent luminescence property with a high coloring index for (Cu(2NA‐AMG‐2H2O)) opens the advanced avenue for light sources and serves as vital constituents for light‐emitting diodes.
Structural variability, implementational irregularities in mathematical modelling of polyhydroxyalkanoates (PHAs) production—A state‐of‐the‐art review
Authors: Lhamo Pema , Mahanty Biswanath
Published: August 2022

The rate and extent of microbial polyhydroxyalkanoates (PHAs) production rely on the availability of substrates, growth of microbial biomass, and intracellular accumulation of polymer under nitrogen‐limited conditions. The dynamics of PHAs production captured through various structured or unstructured models can be extended to design an optimal feeding strategy for process intensification. Large variability in process assumptions, choices of kinetics, and model complexity is expected depending on substrate(s), microbial metabolism, and discretization of the process under consideration. This communication attempts to review the estimation of stoichiometric yield coefficients, metabolic modelling, and choices of unstructured kinetics in microbial PHA production. Implementational irregularities in parameter estimation and quality check in modelling exercises have also been reviewed. It is observed that the scope of the majority of the “modelling” studies is confined to the estimation of stoichiometric parameters with limited utility. In dynamic models, microbial growth is often described using either Monod or logistic variants, while PHAs production adopts a Luedeking–Piret expression with or without substrate inhibition. Though model selection, regression with experimental data, parameter estimation, and model validation are integral parts of the exercise, very few provide sufficient coverage on all those aspects. Application of the model to control or optimize the bioprocess has rarely been attempted.
Promoting sustainable development through strategies, environmental management accounting and environmental performance
Authors: Appannan Jeya Santhini , Mohd Said Ridzwana , Ong Tze San , Senik Rosmila
Published: August 2022

Extant research on environmental management accounting (EMA) has mainly emphasised its impact on environmental disclosures and cost measurements, while the role of EMA in environmental performance has largely been neglected. Hence, the study addressed the literature gap by applying the natural resource‐based view (NRBV) and the dynamic capabilities (DC) theory to investigate EMA as a fundamental managerial innovation mechanism that explains the relationship between environmental strategies and environmental performance. Questionnaires were used to gather data from 145 managers of ISO14001‐certified Malaysian companies. The results of the Partial Least Squares Structural Equation Modelling (PLS‐SEM) analysis demonstrated that EMA mediates the effects of pollution prevention and clean technology strategies on environmental performance but not the effect of the process stewardship strategy. The findings encourage companies to adopt specific environmental strategies to attain better environmental performance through EMA. Moreover, the results highlighted the company limitations in improving environmental performance. The study is one of the first few attempts to integrate EMA with environmental strategies through the application of the NRBV and the DC theory. Additionally, the study provides empirical evidence that efficient EMA management can be transformed into reasonable operational performance and produce positive outcomes.
Radiotherapy combined with PD‐1/PD‐L1 inhibitors in NSCLC brain metastases treatment: The mechanisms, advances, opportunities, and challenges
Authors: Chen Zi‐Ying , Duan Xiao‐Tong , Qiao Si‐Miao , Zhu Xiao‐Xia
Published: August 2022

At present, whole‐brain radiation therapy/stereotactic radiosurgery is one of the main local treatments for brain metastasis of non‐small‐cell lung cancer (NSCLC). Currently, it has been proved that radiotherapy (RT) can regulate the immune response, and small‐sample studies have shown that patients with NSCLC brain metastases (BMs) can benefit from RT combined with immunotherapy (IO). However, the efficacy and safety of the combination treatment have not been deeply elaborated. Notably, as a challenge that is still being explored, the timing of RT combined with IO is likely to be an important factor affecting efficacy and prognosis. This article reviews the current application and challenges of RT combined with IO from the perspectives of molecular mechanism, combination timing, safety, and efficacy. The purpose is to provide information on clinical evidence‐based medicine of combination between RT with IO. For further investigation, we also discuss the major challenges and prospects of RT combined with IO in NSCLC BMs.
Synthesis and study of new nonionic polyether water clarifier for oily wastewater
Authors: Wei Lixin , Zhang Lin , Liu Chao , Jia Xinlei
Published: August 2022

In order to solve the problem of oily wastewater treatment in Shengli Oilfield, tert‐butyl phenol (TP) series nonionic polyether water clarifiers were synthesized by polymerization with p‐tert‐butyl phenol (PTBP) as the initiator. The water clarifiers were characterized by Fourier‐transform infrared spectroscopy (FT‐IR) and the interfacial tension test was carried out. The TP series of water clarifiers effect were evaluated by the oil content and suspension content in the clean water experiments. In addition, the effects of dosage and temperature on the water effect were discussed through the control variable method. The experimental results showed that the oil removal rate of TP6 can reach 95% and the suspension removal rate can reach 92% when the dosage of water clarifier was 40 mg/L, the cleaning water temperature was 55°C, and the cleaning water time was 30 min. The oily wastewater colour after cleaning was clear and transparent with the TP series of water clarifiers, and the effect was better than with commercial water clarifiers.
How reliably can algorithms identify eosinophilic asthma phenotypes using non‐invasive biomarkers?
Authors: Betancor Diana , Olaguibel José María , Rodrigo‐Muñoz José Manuel , Arismendi Ebymar , Barranco Pilar , Barroso Blanca , Bobolea Irina , Cárdaba Blanca , Cruz María Jesús , Curto Elena , Del Pozo Victoria , González‐Barcala Francisco‐Javier , Martínez‐Rivera Carlos , Mullol Joaquim , Muñoz Xavier , Picado Cesar , Plaza Vicente , Quirce Santiago , Rial Manuel Jorge , Soto Lorena , Valero Antonio , Valverde‐Monge Marcela , Sastre Joaquin
Published: August 2022

Background and Aims

Asthma is a heterogeneous respiratory disease that encompasses different inflammatory and functional endophenotypes. Many non‐invasive biomarkers has been investigated to its pathobiology. Heany et al proposed a clinical algorithm that classifies severe asthmatic patients into likely‐eosinophilic phenotypes, based on accessible biomarkers: PBE, current treatment, FeNO, presence of nasal polyps (NP) and age of onset.

Materials and Methods

We assessed the concordance between the algorithm proposed by Heany et al. with sputum examination, the gold standard, in 145 asthmatic patients of the MEGA cohort with varying grades of severity.

Results

No correlation was found between both classifications 0.025 (CI = 0.013–0.037). Moreover, no relationship was found between sputum eosinophilia and peripheral blood eosinophilia count in the total studied population.

Discussion and Conclusion

In conclusion, our results suggest that grouping the biomarkers proposed by Heany et al. are insufficient to diagnose eosinophilic phenotypes in asthmatic patients. Sputum analysis remains the gold standard to assess airway inflammation.
Improved Estimates of Host‐Guest Interaction Energies for Endohedral Fullerenes Containing Rare Gas Atoms, Small Molecules, and Cations
Authors: Saroj Arti , Ramanathan Venkatnarayan , Kumar Mishra Brijesh , Panda Aditya N. , Sathyamurthy Narayanasami
Published: August 2022

Endohedral fullerenes have evinced much interest from the fundamental and applications points of view. However, given the nature of the weak interaction between the guest species and the host cage in these confined systems, the interaction energy values obtained using various theoretical methods, and different basis sets vary over a wide range. For example, the reported interaction energy for the HF@C60 system ranges from −2.5 kcal/mol to −14.9 kcal/mol. In the present manuscript, we report reliable interaction energy values for different endohedral fullerenes (He@C60, Ne@C60, Ar@C60, Kr@C60, H2@C60, HF@C60, H2O@C60, NH3@C60, CH4@C60, Li+@C60, Na+@C60, and K+@C60) obtained using the domain‐based local pair natural orbital coupled‐cluster singles, doubles, and perturbative triples (DLPNO‐CCSD(T)) method and the def2‐TZVP basis set. We believe that these energy values could be considered as benchmark values, and the performance of other quantum chemical methods could be assessed accordingly. Local energy decomposition analysis within the DLPNO‐CCSD(T) framework is used to estimate the electrostatic, exchange, and dispersion components of the interaction energy for some of the endohedral fullerenes.
A mode‐reduction space vector pulse width modulation control method to VIENNA rectifier yet eliminating input current distortions
Authors: Li Zhizhong , Zhang Yuandong , Wang Minghao , Zhang Guidong , Lin Jiaqing
Published: August 2022

The VIENNA rectifier is of high reliability, high power density, and low complexity, which has been widely applied in telecommunication systems. However, it has 25 switching states complicating the control design. Besides, it is easy for the VIENNA rectifier to distort the input currents at zero‐crossing points, which will degrade the grid power quality. To address these problems, a novel mode‐reduction space vector pulse width modulation (SVPWM) control method is proposed in this paper. By analyzing the switching states of the VIENNA rectifier, 3‐mode, 6‐mode, and 18‐mode control framework are compared, and it is found that the 18‐mode has advanced features. Specifically, the proposed 18‐mode control algorithm will have fewer calculation steps and a simpler processing flow. More importantly, it can eliminate the input current distortions for power quality improvement. A 4 kW hardware prototype of the VIENNA rectifier is developed, and experiments have been performed to verify the harmonic reduction feature of the proposed 18‐mode control.
A new background continuous‐time offset cancelation and gain calibration strategy for open‐loop residue amplifiers in high‐speed and high‐resolution ADC's
Authors: Ghasemzadeh Mehdi , Hadidi Khayrollah
Published: August 2022

A continuous‐time offset cancelation and gain calibration strategy is proposed for open‐loop residue amplifiers of pipeline ADC's. Utilizing a reliable technique for detecting gain and offset error, also saving digital amounts of the signals that are resulted from the calibration loop, data conversion proceeds without any interruption. In addition, due to sharing this structure between the several RA stages in ADC, power consumption and area occupation are decreased. Also, this strategy does not require extra circuits, like replica residue amplifier or wide‐bits digital processor for offset and gain‐error correction. Using digital circuits results in multiplexing clock frequency; also, utilizing a unit gain and offset calibration structure for the whole RA in the main ADC results in a significant power consumption reduction. The simulations show that the input‐referred offset is reduced to around 30 μV. Also, the gain calibration loop provides a gain of 8 with an error deviation less than 0.001. Post‐layout simulation results are presented at all process corners and various temperatures, using HSPICE software and 0.18 μm standard CMOS technology in 14‐bit 200 MS/s Pipeline ADC with 23 dB improvement in SNR and 3.9 bit in ENOB.
A low‐profile rectangular slot antenna for sub‐6 GHz 5G wireless applications
Authors: Chowdhury Md Zikrul Bari , Islam Mohammad Tariqul , Rmili Hatem , Hossain Ismail , Mahmud Md Zulfiker , Samsuzzaman Md
Published: August 2022

This paper proposes a novel planar rectangular slot antenna designed and fabricated for a sub‐6 GHz 5G wireless application. The proposed design can work in sub‐6 GHz 5G, WiMAX, and LTE Band 42. The antenna has an inverted stub and E‐shaped and rectangular radiating slot with a circular parasitic element on its upper side concurrently activated by a microstrip feed line with a two‐folded T‐shaped design. The proposed antenna covers the 5G N77 band at 3.5 GHz. It has a dimension of 32.4 × 27.9 × 1.6 mm3 with good reflection coefficient characteristics and excellent impedance matching. The reflection coefficient (S11) is found at −26.5 dB, and the resonant frequency is 3.5 GHz, with a peak gain of almost 4.2 dB. The proposed antenna has ≈82% efficiency for the whole frequency band and provides 19 MHz of total bandwidth. Finally, the proposed antenna is an attractive solution for sub‐6 GHz 5G wireless applications.
An approach to data redundancy reduction and secured data delivery using spatial‐temporal correlation factors in heterogeneous Mobile Wireless Sensor Network
Authors: Thandapani Preethiya , Arunachalam Muthukumar , Sundarraj Durairaj
Published: August 2022

As the state‐of‐the‐art technology in the areas of IoT, battlefield surveillance, medical, military applications, and so on, the Mobile Wireless Sensor Network (MWSN) has attracted the attention of vendors and academics in recent years. In MWSN, energy optimization is the major issue because of its dynamicity property. The energy optimization can be achieved by avoiding node compromise attacks and ensuring secured data transmission in the network. In this paper, an algorithm SDCH‐M (Secured Data for Mobile Clustering Hierarchy) is proposed to ensure secure data delivery in a double cluster head hybrid topology, which optimizes the network energy consumption. Data redundancy is reduced by estimating spatial‐temporal correlation factors, and the variant‐round voting mechanism is used to verify the accuracy of delivered data and to identify compromised nodes through voting by the base station. Results from the simulation show that the proposed SDCH‐M algorithm optimizes energy than M‐LEACH and C‐LEACH algorithm. The average delivery ratio of SDCH‐M (DCH), SDCH‐M (SCH), E2RP, M‐LEACH, and C‐LEACH are 0.9175, 0.9037, 0.828, 0.799, and 0.681, respectively. The average delay of M‐LEACH, C‐LEACH, E2RP, SDCH‐M (DCH), and SDCH‐M (SCH) algorithms is 6.851, 8.655, 6.3, 5.585, and 5.97 s, respectively.
PD‐L1 immunohistochemical testing: A review with reference to cytology specimens
Authors: Layfield Lester J. , Zhang Tao , Esebua Magda
Published: August 2022

Background

Immunotherapy based on disruption of the PD‐1/PD‐L1 axis is standard of care for many high stage malignancies including melanomas, non‐small cell carcinomas of the lung, triple negative breast carcinomas, and squamous cell carcinomas of the head and neck. Eligibility for immunotherapy requires immunohistochemical assessment of PD‐L1 expression. Currently, many high stage malignancies are diagnosed by cytology and cytologic material is the only specimen available for ancillary testing. Formal guidelines do not currently exist defining the optimal specimen type, antibody to be used or the best scoring system for cytologic material. Significant information has been published for PD‐L1 testing of pulmonary specimens but much less data exists for the reproducibility, accuracy and best practices for material obtained from other body sites and types of malignancy.

Methods

We searched the PubMed data base for manuscripts relating to PD‐L1 testing of cytologic specimens. The search period was between 2016 and 2022. The search terms used were PD‐L1, cytology, FNA, immunotherapy, immunohistochemistry, immunocytochemistry, cytology‐histology correlation. Cross referencing techniques were used to screen for the most relevant manuscripts. The abstracts of these were then reviewed for final data collection and analysis.

Results

A total of 86 studies were identified conforming to study relevancy. These were reviewed in their entirety by two authors (LJL, TZ) for extraction of data. The majority of studies involved pulmonary specimens (79) with three relating to PD‐L1 testing of head and neck cytologic specimens and one each for PD‐L1 testing of cytology specimens from melanomas, pancreas, pleural fluids, and triple negative breast carcinomas. While smears could be used, most studies found cell blocks optimal for testing.

Currently, four drugs are approved for immunotherapy based on PD‐L1 status. These drugs require specific antibody clones as well as scoring systems. Scoring systems and cut points vary with the type of neoplasm being treated. Cytology specimens from the lung, head and neck and melanomas can all be used for PD‐L1 testing with good agreement with corresponding histology specimens.
Identification and analytical characterization of N‐propyl norbutylone, N‐butyl norbutylone, N‐benzyl norheptedrone, and N‐pyrrolidinyl‐3,4‐DMA
Authors: Liu Cui‐mei , Hua Zhen‐dong , Song Chun‐hui , Jia Wei
Published: August 2022

In this study, the analytical characterization of three cathinones and one N‐pyrrolidinyl‐substituted amphetamine derivative is described: 1‐([3,4‐methylenedioxyphenyl])‐2‐(propylamino)butan‐1‐one (N‐propyl norbutylone 1), 1‐([3,4‐methylenedioxyphenyl])‐2‐(butylamino)butan‐1‐one (N‐butyl norbutylone 2), 2‐(benzylamino)‐1‐phenylheptan‐1‐one (N‐benzyl norheptedrone 3), and 1‐(1‐[3,4‐dimethoxyphenyl]propan‐2‐yl)pyrrolidine (N‐pyrrolidinyl‐3,4‐DMA 4). The identification was based on ultra‐high‐performance liquid chromatography–quadrupole time‐of‐flight–mass spectrometry (UHPLC–QTOF–MS), gas chromatography‐orbitrap MS (GC‐Orbitrap‐MS), nuclear magnetic resonance spectroscopy (NMR), and Fourier transform infrared (FT‐IR). GC‐Orbitrap‐MS, with higher mass accuracy, benefit more on the accurate structure elucidation of product ions compared with the low‐resolution GC–MS. The collision‐induced dissociation (CID) and electron ionization (EI) pathways of these compounds were examined to assist forensic laboratories in elucidating the structure of new psychoactive substances (NPS) with similar structure in their case work. In addition, electron activated dissociation (EAD) was applied to analyze N‐benzyl norheptedrone, which showed only one product ion in the CID mode. The result showed that for compound with limited product ions in the CID mode, the EAD mode can give more complementary information for structure elucidation. In addition, quantitative NMR (qNMR) was applied for the quantification of four powdered/crystal and two herbal blend seized samples. To our knowledge, no analytical data about the compounds 3 and 4 have appeared until now, making this the first report on these compounds.
Identification of three novel new psychoactive substances 4F‐AB‐BUTINACA, AB‐PHETINACA, and 2F‐NENDCK
Authors: Wang Kua‐Dou , Yuan Xiao‐Liang , Liu Chen , Cao Fang‐Qi , Zhang Yu‐Rong , Liu Wen‐Bin , He Si‐Yang
Published: August 2022

The identification of new psychoactive substances (NPS) is an active and cutting‐edge topic in forensic science. With the emergence of a large number of NPS, their timely identification to prevent spread can pose a challenge to clinical and forensic toxicology laboratories. Three emerging NPS had been identified in recently seized materials, including two synthetic cannabinoids [N‐(1‐amino‐3‐methyl‐1‐oxobutan‐2‐yl)‐1‐(4‐fluorobutyl)‐1H‐indazole‐3‐carboxamide (4F‐AB‐BUTINACA) and N‐(1‐amino‐3‐methyl‐1‐oxobutan‐2‐yl)‐1‐phenethyl‐1H‐indazole‐3‐carboxamide (AB‐PHETINACA)] and a ketamine‐like substance [2‐(2‐fluorophenyl)‐2‐(ethylamino) cyclohexan‐1‐one(2F‐NENDCK)]. The three compounds were first identified by Fourier transform infrared spectrometry (FT‐IR), gas chromatography–mass spectrometry (GC–MS), ultrahigh‐performance liquid chromatography‐quadrupole time‐of‐flight‐mass spectrometry (UHPLC‐QTOF‐MS), and nuclear magnetic resonance (NMR). These data may assist forensic analysts in analyzing the same substances or their homologous compounds.
Evaluating the feasibility and potential efficacy of a brief eTherapy for binge‐eating disorder: A pilot study
Authors: Rom Sean , Miskovic‐Wheatley Jane , Barakat Sarah , Aouad Phillip , Fuller‐Tyszkiewicz Matthew , Maguire Sarah
Published: August 2022

Objective

For those with binge‐eating disorder (BED), access to evidence‐based, face‐to‐face treatment is often constrained by clinician availability and high treatment costs. Emerging evidence suggests online therapy (eTherapy) may navigate these barriers and reduce binge‐eating symptomatology; however, less evaluation has been done in those with BED, particularly with briefer programs targeting early change. This study investigated the feasibility and potential efficacy of a brief, supported eTherapy in those with BED or subthreshold BED.

Method

Participants were 19 women with BED who completed a four‐session eTherapy. This was a single‐arm, pre‐post intervention study, with participants completing weekly content and attending telehealth sessions. Key outcomes were assessed by the Eating Disorder Examination Questionnaire‐Short (EDE‐QS): objective binge episode days, loss of control over eating days, and eating disorder (ED) psychopathology via a total EDE‐QS score.

Results

Generalized and linear mixed models showed significantly reduced loss of control over eating days and ED psychopathology. Program feasibility was high, with strong program adherence and a below average attrition rate.

Discussion

Pilot results support the feasibility and potential efficacy of a brief, behavioral‐focused eTherapy program in reducing ED pathology in those with BED. Future research should further investigate findings in an adequately powered randomized controlled trial.

Public significance

This study suggests that a brief, behavioral‐focused online therapy, guided by non‐expert clinicians, can be successfully administered to those with binge‐eating disorder (BED) and may be efficacious at reducing eating disorder and other related symptomatology. Brief eTherapies that are effective, accessible, and rapidly available may facilitate earlier intervention in illness and improve treatment outcomes for individuals who experience this common and distressing disorder.
Influence of maintenance practices on hydraulic functions of ditches: A trait‐based approach
Authors: Rudi Gabrielle , Bailly Jean‐Stéphane , Caraglio Yves , Dollinger Jeanne , Vinatier Fabrice
Published: August 2022

Maintenance practices in agricultural ditches influence their abiotic and biotic functioning in the short and medium terms, leading to modifications of plant communities. These modifications might in turn affect the water transport regulation and seed retention functions of ditches. The effects of maintenance practices on ditch plant communities have been poorly studied in terms of (i) functional response traits to maintenance practices and (ii) functional effect traits driving ecosystem functioning. We designed an experiment to compare the effects of different maintenance practices (mowing, burning, chemical weeding and dredging) in an agricultural Mediterranean ditch. We measured the plant species richness (i.e. alpha diversity or number of species), stem densities and plant traits/community functional parameters affecting water transport and seed retention (height, blockage factor and surface vegetation ratio), every year during 2 years before and after applying contrasting maintenance practices. All the plants growing in the bottom and on the banks of the studied ditch were identified. We characterised the differences between treatments using linear mixed‐effects models. Maintenance practices differently affected plant communities and resulting ecosystem functions. After 2 years, burning was the poorest practice regarding seed retention and the best practice regarding hydraulic transport capacity, on the basis of a water depth of 60 cm in the ditch. Mowing was the poorest practice regarding water transport and was an averaged practice for seed retention. Mowing was also the practice favouring the highest richness. Chemical weeding did not really differ from the control in terms of studied traits and parameters, although a slight decrease in water conveyance ability and increase in seed retention were assessed after 2 years. The results pave the way to developing easy to implement maintenance solutions with the potential to optimise ecosystem functions, relying both on historical agricultural practices for farmers (involving no new know‐how) and on non‐introduced plant species.
Cs‐Induced Phase Transformation of Vanadium Oxide for High‐Performance Zinc‐Ion Batteries
Authors: Qu Gan , Guo Kai , Chen Weijie , Du Yu , Wang Ye , Tian Bingbing , Zhang Jianan
Published: August 2022

Rechargeable aqueous zinc‐ion batteries are promising candidate for grid‐scale energy storage. However, the development of zinc‐ion batteries has been plagued by the lack of cathode materials with high specific capacity and superior lifespan. Herein, hexagonal Cs0.3V2O5 cathode is fabricated and investigated in zinc‐ion batteries. Compared with the traditional vanadium oxides, the introduction of Cs changes the periodic atomic arrangements, which not only stabilizes the open framework structure but also facilitates the Zn2+ diffusion with a lower migration energy barrier. Consequently, high specific capacity of 543.8 mA h g−1 at 0.1 A g−1 is achieved, which surpasses most of reported cathode materials in zinc‐ion batteries. The excellent cycle life is achieved over 1000 cycles with about 87.8% capacity retention at 2 A g−1. Furthermore, the morphological evolution and energy storage mechanisms are also revealed via a series of techniques. This work opens up a phase engineering strategy to fabricate the hexagonal vanadium oxide and elucidate the application of phase‐dependent cathodes in zinc‐ion batteries.
Prescribed opioid use is associated with adverse cardiovascular outcomes in community‐dwelling older persons
Authors: Liew Stephanie M. , Chowdhury Enayet K. , Ernst Michael E. , Gilmartin‐Thomas Julia , Reid Christopher M. , Tonkin Andrew , Neumann Johannes , McNeil John J. , Kaye David M.
Published: August 2022

Aims

Prescribed opioids are commonly used in the older community‐dwelling population for the treatment of chronic pain. Although the harmful effects of opioid abuse and overdose are well understood, little is known about the long‐term cardiovascular (CV) effects of prescribed opioids. The aim of this study was to investigate the CV effects associated with prescribed opioid use.

Methods and results

A post hoc analysis of participants in the Aspirin in Reducing Events in the Elderly (ASPREE) trial was conducted. Participants in the ASPREE trial included community‐dwelling older adults without a prior history of CV disease (CVD). Prescribed opioid use was defined as opioid use at baseline and/or at the first annual visit (AV1). Cox proportional hazards regression was used to calculate hazard ratios and 95% confidence intervals (95% CI) for associations between opioid use and CVD events following AV1. Of the 17 701 participants included (mean age 75.2 years, 58.2% female), 813 took opioids either at baseline or at AV1. Over a median follow‐up period of 3.58 years (IQR 2.50–4.62), CVD events, most notably heart failure hospitalization, occurred in 7% (n = 57) amongst opioid users and 4% (n = 680) amongst non‐opioid users. After adjustment for multiple covariates, opiate use was associated with a 1.67‐fold (CI 1.26–2.23, P < 0.001) increase in the hazard ratio for CVD events.

Conclusions

These findings identify opioid use as a non‐traditional risk factor for CVD events in community‐dwelling older adults.
Controllable Synthesis of Mono‐ and Bis‐sulfenylindoles from Indoles and Various Sulfenylation Agents Using KI/SeO2 System
Authors: Benchawan Thewika , Saeeng Rungnapha
Published: August 2022

An efficient method for selective synthesis of mono‐ and bis‐sulfenylindoles was developed using a novel aerobic catalytic oxidation system KI/SeO2 for sulfenylation of indoles with disulfide/thiols. The selectivity was controlled by varying the amount of the catalytic system and sulfenylation agents. The reaction features easy operation, mild reaction conditions, good atom economy, gram‐scalability, and a metal‐free approach furnishing desired products in up to excellent yields.
The Emerging Promise with O/C‐Glycosides of Important Dietary Phenolic Compounds
Authors: Aidhen Indrapal Singh , Srikanth Sriranjani , Lal Heera
Published: August 2022

This review presents a brief overview of important dietary phenolics and their biological properties for severing as a lead in ongoing research for their applications in therapeutics.
Covalent anionic copolymer coatings with tunable electroosmotic flow for optimization of capillary electrophoretic separations
Authors: Šolínová Veronika , Tůma Petr , Butnariu Maria , Kašička Václav , Koval Dušan
Published: August 2022

We present a method for finely adjustable electroosmotic flow (EOF) velocity in cathodic direction for the optimization of separations in capillary electrophoresis. To this end, we use surface modification of the separation fused silica capillary by the covalently attached copolymer of acrylamide (AM) and 2‐acrylamido‐2‐methyl‐1‐propanesulfonate (AMPS), that is, poly(AM‐co‐AMPS) or PAMAMPS. Coatings were formed by the in‐capillary polymerization of a mixture of the neutral AM and anionic AMPS monomers premixed in various ratios in order to control the charge density of the copolymer. EOF mobility varies in the 0 to ∼40 × 10−9 m2 V−1 s−1 interval for PAMAMPS coatings ranging from 0 to 60 mol.% of charged AMPS monomer. For EOF in PAMAMPS‐treated capillaries, we observed (i) a negligible dependence on pH in the 2–10 interval, (ii) a minor variance among background electrolytes (BGEs) in function of their components and (iii) its standard decrease with increasing ionic strength of the BGE. Interest in variable cathodic EOF was demonstrated by the amelioration of separation of two kinds of isomeric anionic analytes, that is, monosaccharides phosphates and helquat enantiomers, in counter‐EOF mode.
A comprehensive literature review and meta‐analysis of the prevalence of pan‐cancer BRCA mutations, homologous recombination repair gene mutations, and homologous recombination deficiencies
Authors: Shao Changxia , Wan Jun , Lam Fred C. , Tang Huilin , Marley Andrew R. , Song Yiqing , Miller Chelsey , Brown Madeline , Han Jiali , Adeboyeje Gboyega
Published: August 2022

There is significant improvement in the outcomes following treatment with PARP inhibitors among patients with certain tumors that have BRCA mutations (BRCAm), homologous recombination repair (HRR) gene mutations, or homologous recombination deficiency (HRD) positivity. We performed a literature review and meta‐analysis to evaluate the prevalence of BRCA1/2m, HRR gene mutations, and HRD positivity across multiple cancers. There were 265 publications on BRCA1/2 mutation prevalence, 189 on HRR gene mutation prevalence, and 7 on HRD positivity prevalence. The prevalences of germline BRCA1m and BRCA2m were 7.8% and 5.7% for breast cancer, 13.5% and 6.6% for ovarian cancer, 0.5% and 3.5% for prostate cancer, and 1.1% and 4.1% for pancreatic cancer, respectively. The prevalences of somatic BRCA1m and BRCA2m were 3.4% and 2.7% for breast cancer, 4.7% and 2.9% for ovarian cancer, 5.7% and 3.2% for prostate cancer, and 1.2% and 2.9% for pancreatic cancer, respectively. We identified 189 studies with over 418,649 samples across 25 tumor types that examined mutations in one or more HRR genes other than BRCA1/2. The prevalence of mutations among HRR genes remained low (less than 1%), with ATM (5.2%), CHEK2 (1.6%), and PALB2 (0.9%) exhibiting the highest prevalence. Seven studies evaluated HRD positivity in breast, ovarian, and prostate cancer patients. The prevalence of HRD positivity was 56% overall (95% CI = 48%–64%). The understanding of biomarker prevalence across tumor types and standardization of biomarker assays could have important clinical implications.
An efficient IoMT based health monitoring using complex valued deep CNN and political optimizer
Authors: Kavitha D. , Vidhya A. , Prema V. , Priyadharshini M. , Kumaresan G. , Sangeetha G.
Published: August 2022

In the field of prevalent computing, human living becomes smart with the recent developments on the IoMT, telecommunication methods and wearable sensors to provide smart healthcare systems. The IoMT plays a significant role in decreasing the mortality rate through the early recognition of disease. The prediction of the disease is the key problem in medical database analysis. In this paper, the novel smart healthcare structure for observing the physical actions of the matured people with the help of the IoMT and deep learning algorithms are utilized for quicker examination and improved treatment suggestions. The data is gathered from several wearable sensors positioned on the person's chest, right arm and left ankle is broadcasted via the IoMT gadgets to the merged cloud as well as the data analysis layer. The complex‐valued deep convolutional neural network with an improved political optimizer (CDCNNIP) approach perfectly suits the MapReduce model is employed for identifying the movement practiced by various body portions, which offer high flexibility and improved performance when compared to other classifiers. The accuracy of the complex‐valued deep Convolutional neural network is enhanced using the improved political optimizer (IPO). The proposed structure detects 12 physical actions and produces an accuracy of 98.5%. This highest‐value accuracy is considered as the best solution for the identification of physical actions hence observing the medical settings of the aged people.
A probabilistic thermal radiation analysis of cooking hob separation distance in open plan kitchens
Authors: Spearpoint Michael , Hopkin Charlie , Hopkin Danny
Published: August 2022

Cooking oil fires present a hazard to the occupants of residential flats with open plan kitchens where the means of escape passes fixed cooking appliances. Recent guidance has proposed a separation distance of 1.8 m from a hob/stovetop, but the basis of this advice is unclear. This paper carries out a probabilistic thermal radiation analysis using the thermal fractional effective dose (FED) methodology to assess the likelihood that the specified separation distance will be exceeded. Statistical data collected from a previous survey of cooking oil usage is used to determine reasonable worst‐case maximum heat release rate values as input to the point source model to calculate thermal radiation exposure. Occupant exposure times are assessed using walking speeds based on occupant demographics. The analysis suggests that the 1.8 m criterion equates to approximately a 99th percentile where there is no cap on the heat flux that an occupant can tolerate. This falls to the 88th percentile when the maximum tolerable heat flux is capped at 2.5 kW/m2to account for vulnerable occupants.
Development and validation of prognostic nomograms in patients with ascending type of nasopharyngeal carcinoma: Retrospective study based on SEER database
Authors: Chen Kai‐Hua , Jiang Yu‐Ting , Zhao Rong , Sun Yong‐Chu , Zhu Xiao‐Dong
Published: August 2022

Background

Nomograms specifically used to predict the prognosis of ascending type nasopharyngeal carcinoma (NPC) have not been constructed.

Methods

Data of ascending type (T3‐4N0‐1M0) NPC from the Surveillance, Epidemiology, and End Results (SEER) database between 2004 and 2015 were extracted.

Results

Altogether 862 patients with ascending type NPC were enrolled, including 603 in training cohort and 259 in validation cohort. Age, marital status, pathology, grade, tumor size, T classification, and chemotherapy were the independent prognostic factors for overall survival (OS). Age, marital status, pathology, grade, and chemotherapy were the independent prognostic factors for cancer‐specific survival (CSS). In training cohort, the concordance index of the OS and CSS nomograms were 0.694 (95% confidence interval [CI], 0.677–0.711) and 0.678 (95%CI, 0.659–0.697), respectively, while those in validation cohort were 0.740 (95%CI, 0.715–0.765) and 0.708 (95%CI, 0.679–0.737), separately.

Conclusion

The as‐constructed nomograms for ascending type NPC could provide accurate prognostic predictions of OS and CSS.