bluuebunny/crossref_metadata_2025 huggingface dataset:
Histopathologic features of biologic therapy nonresponders in chronic rhinosinusitis with nasal polyposis
Authors: Baird Ali M. , Masliah Jamie , Filip Peter , Talati Vidit , Brown Hannah J. , Owen Grant , Khalife Sarah , Papagiannopoulos Peter , Gattuso Paolo , Batra Pete S. , Tajudeen Bobby A.
Published: October 2023

Background

Biologics are effective for chronic rhinosinusitis with nasal polyposis (CRSwNP) by reducing type 2 inflammation. Nonresponders often require functional endoscopic sinus surgery (FESS) and represent a challenging population potentially due to non‐type 2 pathophysiology. This study characterizes the histopathologic features of biologic nonresponders.

Methods

A retrospective review of 257 CRSwNP patients undergoing FESS was conducted. The biologic nonresponder group included patients with prior biologic therapy who exhibited persistent symptoms and polyp burden. Those with CRSwNP not prescribed biologic therapy were selected as controls. Demographics, comorbidities, and structured histopathology consisting of 13 variables were collected.

Results

Of 257 CRSwNP patients, 20 were on biologics prior to FESS. Fourteen patients (70.0%) received dupilumab, one (5.0%) received mepolizumab, one (5.0%) received omalizumab, and four (20.0%) tried multiple biologics. The mean age for the biologic nonresponder group was 45.8 years compared to 50.4 years for the controls. Nonresponders had a significantly increased incidence of reduced tissue eosinophilia, defined as <5 per high power field (55% vs. 31.2%, p = 0.044) and increased basement membrane thickening (100% vs. 78.1%, p = 0.019). The remaining 11 variables did not reach statistical significance.

Conclusion

Histopathologic analysis of biologic nonresponders demonstrates decreased eosinophilia and thickened basement membranes. These findings, particularly low tissue eosinophils, are consistent with a non‐type 2 CRSwNP that may be recalcitrant to biologic therapies. Histopathologic analysis done in conjunction with FESS may aid clinicians in understanding response to biologic therapies in patients with CRSwNP who have persistent symptom burden necessitating FESS.
Correlation of Broad Absorption Band with Small Singlet‐Triplet Energy Gap in Organic Photovoltaics
Authors: Fan Baobing , Gao Wei , Zhang Rui , Kaminsky Werner , Tang Lingxiao , Lin Francis R. , Wang Yiwen , Fan Qunping , Ma Wei , Gao Feng , Jen Alex K.‐Y.
Published: October 2023

Organic photovoltaics (OPV) are one of the most effective ways to harvest renewable solar energy, with the power conversion efficiency (PCE) of the devices soaring above 19 % when processed with halogenated solvents. The superior photocurrent of OPV over other emerging photovoltaics offers more opportunities to further improve the efficiency. Tailoring the absorption band of photoactive materials is an effective way to further enhance OPV photocurrent. However, the field has mostly been focusing on improving the near‐infrared region photo‐response, with the absorption shoulders in short‐wavelength region (SWR) usually being neglected. Herein, by developing a series of non‐fullerene acceptors (NFAs) with varied side‐group conjugations, we observe an enhanced SWR absorption band with increased side‐group conjugation length. The underpinning factors of how molecular structures and geometries improve SWR absorption are clearly elucidated through theoretical modelling and crystallography. Moreover, a clear relationship between the enhanced SWR absorption and reduced singlet‐triplet energy gap is established, both of which are favorable for the OPV performance and can be tailored by rational structure design of NFAs. Finally, the rationally designed NFA, BO‐TTBr, affords a decent PCE of 18.5 % when processed with a non‐halogenated green solvent.
Dearomative Ring‐Fused Azafulleroids and Carbazole‐Derived Metallofullerenes: Reactivity Dictated by Encapsulation in a Fullerene Cage
Authors: Liu Tong‐Xin , Wang Xin , Xia Shilu , Chen Muqing , Li Mingjie , Yang Panting , Ma Nana , Hu Ziqi , Yang Shangfeng , Zhang Guisheng , Wang Guan‐Wu
Published: October 2023

Herein, we report divergent additions of 2,2′‐diazidobiphenyls to C60 and Sc3N@Ih‐C80. In stark contrast to that of the previously reported bis‐azide additions, the unexpected cascade reaction leads to the dearomative formation of azafulleroids 2 fused with a 7‐6‐5‐membered ring system in the case of C60. In contrast, the corresponding reaction with Sc3N@Ih‐C80 switches to the C−H insertion pathway, thereby resulting in multiple isomers, including a carbazole‐derived [6,6]‐azametallofulleroid 3 and a [5,6]‐azametallofulleroid 4 and an unusual 1,2,3,6‐tetrahydropyrrolo[3,2‐c]carbazole‐derived metallofullerene 5, whose molecular structures have been unambiguously determined by single‐crystal X‐ray diffraction analyses. Among them, the addition type of 5 is observed for the first time in all reported additions of azides to fullerenes. Furthermore, unexpected isomerizations from 3 to 5 and from 4 to 5 have been discovered, providing the first examples of the isomerization of an azafulleroid to a carbazole‐derived fullerene rather than an aziridinofullerene. In particular, the isomerism of the [5,6]‐isomer 4 to the [5,6]‐isomer 5 is unprecedented in fullerene chemistry, contradicting the present understanding that isomerization generally occurs between [5,6]‐ and [6,6]‐isomers. Control experiments have been carried out to rationalize the reaction mechanism. Furthermore, representative azafulleroids have been applied in organic solar cells, thereby resulting in improved power conversion efficiencies.
Mild Hydrogenation of 2‐Furoic Acid by Pt Nanoparticles Dispersed in a Hierarchical ZSM‐5 Zeolite
Authors: Pornsetmetakul Peerapol , Maineawklang Narasiri , Prasertsab Anittha , Salakhum Saros , Hensen Emiel J. M. , Wattanakit Chularat
Published: October 2023

Hydrogenation of biobased compounds can add value to platform molecules obtained from biomass refining. Herein, we explore the hydrogenation of 2‐furoic acid (2‐furancarboxylic acid, FCA), a derivative of furfural, with H2 generated in situ by NaBH4 hydrolysis at ambient conditions. Nearly complete conversion of FCA was obtained with tetrahydrofuroic acid (THFA) and 5‐hydroxyvaleric acid (5‐HVA) as the only two reaction products over Pt nanoparticles supported on hierarchical ZSM‐5. Small Pt nanoparticles (2 to 3 nm) were stabilized by ZSM‐5 nanosheets. At an optimized Pt loading, the Pt nanoparticles can catalyze the hydrolysis of NaBH4 and the subsequent hydrogenation of FCA with the assistance of Brønsted acid sites. Nanostructuring ZSM‐5 into nanosheets and its acidity contributes to the stability of the dispersed Pt nanoparticles. Deactivation due to NaBO2 deposition on the Pt particles can be countered by a simple washing treatment. Overall, this approach shows the promise of mild hydrogenation of biobased feedstock coupled with NaBH4 hydrolysis.
Trajectories for Lithium‐Ion Battery Cost Production: Can Metal Prices Hamper the Deployment of Lithium‐Ion Batteries?
Authors: Orangi Sina , Manjong Nelson Bunyui , Clos Daniel Perez , Usai Lorenzo , Stokke Burheim Odne , Strømman Anders Hammer
Published: October 2023

Cost‐savings in lithium‐ion battery production are crucial for promoting widespread adoption of Battery Electric Vehicles and achieving cost‐parity with internal combustion engines. This study presents a comprehensive analysis of projected production costs for lithium‐ion batteries by 2030, focusing on essential metals. It explores the complex interplay of factors, including economies of scale, R&D innovations, market dynamics, and metal price trends. The findings highlight the significant role of R&D innovations and economies of scale in substantial cost reductions by 2030, with projected ranges of 21–28 % and 25–37 %, respectively. However, potential cost escalations due to elevated metal prices, particularly for nickel‐cobalt‐containing chemistries, are also cautioned. To address these challenges, the study proposes a strategic shift towards robust Lithium‐Iron‐Phosphate (LFP) chemistry to mitigate cost pressures and meet predefined cost targets. Moreover, by analyzing medium or low metal price trends, the study reveals the potential for significant cost savings, with exceptional scenarios demonstrating up to a remarkable 65 % reduction in costs. Given the broad range of cost likelihoods, the study underscores the importance of vertical integration and international cooperation in managing the essential metals supply chain securely. The research has profound implications for policymakers and industry decision‐makers, providing valuable insights into the lithium‐ion battery industry.
Holistic assessment of Brazil's bioenergetic potential
Authors: de Sousa Laura Vieira Maia , Silva Lora Electo Eduardo , de Lisboa Fábio Cordeiro , Filho Fernando Bruno Dovichi , del Olmo Oscar Almazan
Published: October 2023

There is an urgent need for energy sources with lower environmental impacts to dispose of waste generated by human activities. In this context, a holistic analysis of energy use of waste from agricultural and forestry activities, animal excreta, urban solid waste and sewage, waste from the pulp and paper industry and charcoal in Brazil is presented. Based on a bibliographic review, the current Brazilian panorama is presented in figures giving, a vision of national potential for harnessing bioenergy from this theoretical and technical potential. The QGIS3.24.2 Tisler geoprocessing tool was used to generate potentiality maps from census data of microregions and municipalities available in the IBGE database (2022) and in the Geocentric Reference System for the Americas (SIRGAS 2000). The results of map analysis by micro‐regions of the primary energy from agricultural residues highlight sugar cane, corn and soybeans crops, followed by wastewater and animal excreta. They stood out amont the studied sources of biomass with technical potentials of 53.17, 15.23 and 6.81 GW, respectively. With these results, it is concluded that Brazil could enable around 75 GW installed power, reusing all biomass, potentially 12.5 PJ, without considering the 16 GW already installed from sugarcane and paper black liquor plants.
Combined spinal and epidural anaesthesia for open radical cystectomy: A controlled study
Authors: Galletta Maria , De Pasquale Maria , Buttitta Alessandro , Viganò Silvia , Mucciardi Giuseppe , Giannarini Gianluca , Ficarra Vincenzo
Published: October 2023

Objectives

To evaluate the feasibility of loco‐regional anaesthesia and to compare perioperative outcomes between loco‐regional and standard general anaesthesia in patients with bladder cancer undergoing open radical cystectomy (ORC).

Patients and Methods

A single‐surgeon cohort of 60 consecutive patients with bladder cancer undergoing ORC with an enhanced recovery after surgery protocol between May 2020 and December 2021 was analysed. A study group of 15 patients operated on under combined spinal and epidural anaesthesia was compared with a control group of 45 patients receiving standard general anaesthesia. Intraoperative outcomes were haemodynamic stability, estimated blood loss, intraoperative red blood cell transfusion rate, and anaesthesia time. Postoperative outcomes were pain assessment 24 h after surgery, time to mobilisation, return to oral diet, time to bowel function recovery, length of stay and rate of 90‐day complications.

Results

No patients required conversion from loco‐regional to general anaesthesia. All patients in both groups were haemodynamically stable. No significant differences between groups were observed for all other intraoperative outcomes, except for a shorter anaesthesia time in the study versus control group (250 vs. 290 min, p = 0.01). Pain visual score 24 h after surgery was significantly lower in the study versus control group (0 vs. 2, p < 0.001). No significant differences were observed for all other postoperative outcomes, with a comparable time to bowel function recovery (5 days in each group for stool passage), and 90‐day complication rate (46.6% vs. 42.2% for the study vs. control group, p = 0.76).

Conclusion

Our exploratory, controlled study confirmed the feasibility, safety and effectiveness of a pure loco‐regional anaesthesia in patients with bladder cancer undergoing ORC. No significant differences were observed in intra‐ and postoperative outcomes between loco‐regional and general anaesthesia, except for a significantly shorter anaesthesia time and greater pain reduction in the early postoperative period for the former.
Confirmatory structural validation and refinement of the Recurrent Urinary Tract Infection Symptom Scale
Authors: Newlands Abigail F. , Kramer Melissa , Roberts Lindsey , Maxwell Kayleigh , Price Jessica L. , Finlay Katherine A.
Published: October 2023

Objectives

To confirm the structural validity of the Recurrent Urinary Tract Infection Symptom Scale (RUTISS), determining whether a bifactor model appropriately fits the questionnaire's structure and identifying areas for refinement. Used in conjunction with established clinical testing methods, this patient‐reported outcome measure addresses the urgent need to validate the patient perspective.

Patients and methods

A clinically and demographically diverse sample of 389 people experiencing recurrent UTI across 37 countries (96.9% female biological sex, aged 18–87 years) completed the RUTISS online. A bifactor graded response model was fitted to the data, identifying potential items for deletion if they indicated significant differential item functioning (DIF) based on sociodemographic characteristics, contributed to local item dependence or demonstrated poor fit or discrimination capability.

Results

The final RUTISS comprised a 3‐item symptom frequency section, a 1‐item global rating of change scale and an 11‐item general ‘rUTI symptom and pain severity’ subscale with four sub‐factor domains measuring ‘urinary symptoms’, ‘urinary presentation’, ‘UTI pain and discomfort’ and ‘bodily sensations’. The bifactor model fit indices were excellent (root mean square error of approximation [RMSEA] = 0.041, comparative fit index [CFI] = 0.995, standardised root mean square residual [SRMSR] = 0.047), and the mean‐square fit statistics indicated that all items were productive for measurement (mean square fit indices [MNSQ] = 0.64 – 1.29). Eighty‐one per cent of the common model variance was accounted for by the general factor and sub‐factors collectively, and all factor loadings were greater than 0.30 and communalities greater than 0.60. Items indicated high discrimination capability (slope parameters > 1.35).

Conclusion

The 15‐item RUTISS is a patient‐generated, psychometrically robust questionnaire that dynamically assesses the patient experience of recurrent UTI symptoms and pain. This brief tool offers the unique opportunity to enhance patient‐centred care by supporting shared decision‐making and patient monitoring.
Transporter mining and metabolic engineering of Escherichia coli for high‐level D‐allulose production from D‐fructose by thermo‐swing fermentation
Authors: Guo Qiang , Zhang Ya‐Xing , Zheng Ling‐Jie , Zhang Meng‐Jun , Zheng Shang‐He , Chen Wei‐Xiang , Fan Li‐Hai , Zheng Hui‐Dong
Published: October 2023

D‐Allulose is an ultra‐low‐calorie sweetener with broad market prospects in the fields of food, beverage, health care, and medicine. The fermentative synthesis of D‐allulose is still under development and considered as an ideal route to replace enzymatic approaches for large‐scale production of D‐allulose in the future. Generally, D‐allulose is synthesized from D‐fructose through Izumoring epimerization. This biological reaction is reversible, and a high temperature is beneficial to the conversion of D‐fructose. Mild cell growth conditions seriously limit the efficiency of producing D‐allulose through fermentation. FryABC permease was identified to be responsible for the transport of D‐allulose in Escherichia coli by comparative transcriptomic analysis. A cell factory was then developed by expression of ptsG‐F, dpe, and deletion of fryA, fruA, manXYZ, mak, and galE. The results show that the newly engineered E. coli was able to produce 32.33 ± 1.33 g L−1 of D‐allulose through a unique thermo‐swing fermentation process, with a yield of 0.94 ± 0.01 g g−1 on D‐fructose.
Risk factors for unresectable pancreatic cancer following high‐intensity focused ultrasound treatment
Authors: Yang Yu , Shi Xian‐quan , Chen Guang , Qian Lin‐xue
Published: October 2023

Purpose

Pancreatic cancer is one of the most aggressive malignant tumors with poor prognosis. High‐intensity focused ultrasound (HIFU) is an effective and safe treatment option for advanced pancreatic cancer, however, the survival time of patients after the treatment was different. So, the purpose of this study was to evaluate the relationship between the high‐risk characteristics and prognosis of unresectable pancreatic cancer after HIFU treatment.

Patients and Methods

This prospective study included 30 patients with unresectable pancreatic cancer who received HIFU at Beijing Friendship Hospital. Data on patients' tumor size, pain scores, peripheral blood lymphocyte subsets, CA19‐9 and contrast enhanced ultrasound (CEUS) features were collected to assess the relationship with overall survival (OS) after HIFU.

Results

The median OS from the start of HIFU treatment was 159 days, 95% confidence interval (95% CI): 108–210. The levels of pain were determined by visual analogue scale (VAS) score, and the quartile of the score decreased from 6 (2, 7) to 4 (2, 5) immediately after one session of the treatment (p = 0.001). The diagnostic model showed that high post VAS score and decreasing of peripheral CD4+ T cells were significantly correlated with poor prognosis (p < 0.05), and showed good discrimination ability (AUC = 0.848, 95% CI = 0.709–0.987).

Conclusion

HIFU can effectively relieve pain in patients with unresectable pancreatic cancer. Post treatment VAS and change of peripheral CD4+ T cells are independent risk factors affecting the prognosis in patients with unresectable pancreatic cancer after HIFU treatment.
Peripheral insulin resistance is early, progressive, and correlated with cachexia in Walker‐256 tumor‐bearing rats
Authors: de Morais Hely , Bôas Suéllen Kathiane Fernandes Vilas , de Souza Camila O. , Miksza Daniele Romani , Moreira Carolina C. L. , Kurauti Mirian Ayumi , Silva Flaviane de F. , Cassolla Priscila , Silva Francemilson Goulart da , Limiere Leticia Cristina , Grassiolli Sabrina , Bazotte Roberto B. , de Souza Helenir M.
Published: October 2023

Insulin (INS) resistance is often found in cancer‐bearing, but its correlation with cachexia development is not completely established. This study investigated the temporal sequence of the development of INS resistance and cachexia to establish the relationship between these factors in Walker‐256 tumor‐bearing rats (TB rats). INS hepatic sensitivity and INS resistance‐inducing factors, such as free fatty acids (FFA) and tumor necrosis factor‐α (TNF‐α), were also evaluated. Studies were carried out on Days 2, 5, 8, and/or 12 after inoculation of tumor cells in rats. The peripheral INS sensitivity was assessed by the INS tolerance test and the INS hepatic sensitivity in in situ liver perfusion. TB rats with 5, 8, and 12 days of tumor, but not 2 days, showed decreased peripheral INS sensitivity (INS resistance), retroperitoneal fat, and body weight, compared to healthy rats, which were more pronounced on Day 12. Gastrocnemius muscle wasting was observed only on Day 12 of tumor. The peripheral INS resistance was significantly correlated (r = −.81) with weight loss. Liver INS sensitivity of TB rats with 2 and 5 days of tumor was unchanged, compared to healthy rats. TB rats with 12 days of tumor showed increased plasma FFA and increased TNF‐α in retroperitoneal fat and liver, but not in the gastrocnemius, compared to healthy rats. In conclusion, peripheral INS resistance is early, starts along with fat and weight loss and before muscle wasting, progressive, and correlated with cachexia, suggesting that it may play an important role in the pathogenesis of the cachectic process in TB rats. Therefore, early correction of INS resistance may be a therapeutic approach to prevent and treat cancer cachexia.
Selection of Highly Specific DNA Aptamer for the Development of QCM‐Based Arsenic Sensor
Authors: Kumar Sandeep , Singh Poonam , Verma Sanjay Kumar
Published: October 2023

Heavy metal arsenic is a water pollutant that affects millions of lives worldwide. A novel aptamer candidate for specific and sensitive arsenic detection was identified using Graphene Oxide‐SELEX (GO‐SELEX). Eleven rounds of GO‐SELEX were performed to screen As(III) specific sequences. The selected aptamer sequences were evaluated for their binding affinity. The dissociation constant of the best aptamer candidate, As‐06 was estimated by fluorescence recovery upon target addition, and it was found to be 8.15 nM. A QCM‐based biosensing platform was designed based on the target‐triggered release of aptamer from the QCM electrode. An rGO‐SWCNT nanocomposite was adsorbed on the gold surface, and the single‐stranded probe was stacked on the rGO‐CNT layer. Upon addition of the target to the solution, a concentration‐dependent release of the ssDNA probe was observed and recorded as the change in the electrode frequency. The developed QCM sensor showed a dynamic linear range from 10 nM to 100 nM and a low detection limit of 8.6 nM. The sensor exhibited excellent selectivity when challenged with common interfering anions and cations.
Incidental cerebral aneurysm after takotsubo cardiomyopathy: A case report
Authors: Amaro Tânia , Sgarbi Taynara , Vieira Raísa , Santos Rafael Reis , Matos Priscila , Oliveira Adilson
Published: October 2023

Takotsubo syndrome (TS) is an acute heart disease that mimics the typical features of acute coronary syndrome (ACS). TS is generally reported after subarachnoid hemorrhage (SAH) due to a ruptured aneurysm, and has an incidence rate of 0.8 (17%). Here, we report a rare case of TS with unruptured intracranial aneurism. A 54‐year‐old woman had a history of systemic arterial hypertension and migraine. She went to a secondary hospital 2 h after sudden‐onset chest pain, which irradiated to the left upper limb and back. The initial electrocardiogram (ECG) was normal but showed a troponin curve, which led us to suspect acute non‐ST elevation myocardial infarction. Serial ECG showed dynamic changes in ST‐segment elevation in DIII, AvF, V5, and V6. Emergency cardiac catheterisation was performed and did not show any obstructive lesions. However, ventriculography revealed hypokinesia of the inferoapical wall. During hospitalization, the patient had a severe refractory headache. Computed tomography (CT) and CT angiography were performed, which identified “mirror” saccular aneurysms. A supraclinoid internal carotid artery aneurysm was embolized with two stents. The patient's condition progressed satisfactorily. The association between takotsubo syndrome and aneurysmal SAH with some populations has already been reported. Due to this prior knowledge, and severe headache, it was necessary to perform screening for SAH and the discovery of an unruptured aneurysm in this case report. The present case report differs from most reported cases of takotsubo syndrome described in the literature because it presents unruptured mirror aneurysms, while most cases are diagnosed after intracranial hemorrhage.
From Rags to Riches: Exploiting the Calvin‐Benson‐Bassham Cycle for Biomanufacturing
Authors: Federici Filippo , Orsi Enrico , Nikel Pablo Iván
Published: October 2023

Industrial chemical production largely relies on fossil fuels, resulting in the unavoidable release of carbon dioxide (CO2) into the atmosphere. The concept of a circular carbon bioeconomy has been proposed to address this issue, wherein CO2is captured and used as a raw material for manufacturing new chemicals. Microbial cell factories and, in particular, autotrophic microorganisms capable of utilizing CO2as the sole carbon source, emerged as potential catalysts for upcycling CO2to valuable products. The Calvin‐Benson‐Bassham cycle (CBBc), the best‐known CO2fixation pathway, is widely distributed in Nature. While extensively studied, microbial engineering programmes based on the CBBc remains relatively underexplored. In this review, we discuss avenues towards biotechnological exploitation of the CBBc to engineer CO2‐utilizing microbial cell factories, with a focus on chemically‐derived electron donors. We also highlight the advantages and challenges of implementing the CBBc in heterotrophic microbial hosts and its potential to advance a true circular carbon bioeconomy. Moreover, based on the pathway's architecture, we argue about the ideal value‐added products to generate from this metabolic route. Altogether, studying and engineering the CBBc in both natural‐ and synthetic‐autotrophs will enhance our understanding on this CO2fixation pathway, enabling further exploration of biomanufacturing avenues with CO2as feedstock.
Tuning the Electrochemical Properties of Poly‐thiophenes with a 2,5‐Dithienil‐N‐subtituted‐pyrrole Bearing an Aniline Moiety for Electrochromic Devices
Authors: Nicolini Tommaso , Frontana‐Uribe Bernardo A. , Kuhn Alexander , Salinas Gerardo
Published: October 2023

Conducting polymers find applications as active materials in electrochromic devices thanks to their tunable optoelectronic and electrochemical properties. Such versatility can be further enhanced by copolymerizing various aromatic monomers in order to produce new materials. In this work, we present different copolymers obtained by electropolymerization of an N‐substituted dithienylpyrrole (SNSBA) with either 3,4‐ethylendioxythiophene (EDOT) or bithiophene (BTh). The electrochemical, spectroscopic, and electrical properties were characterized across their different neutral and charged states by means of ex‐situ and in‐situ spectroelectrochemical techniques. The peculiar feature of SNSBA lies in the aniline bearing substituent of the central pyrrole unit that allows polymerization to occur at three different sites, yielding a cross‐linked polymer network. Our findings show that the SNSBA comonomer not only influences the optoelectronic properties of the final materials with respect to their homopolymers, but also induces a lowering of the hysteresis of the insulating/conducting transition (ΔEG<280 mV), likely due to the cross‐linked nature of the polymer layer. These features are promising to develop a new class of copolymers for electrochromic devices with stable, reversible, and fast operation.
Chromatographic method development for simultaneous determination of serotonin, melatonin, and L‐tryptophan: Mass transfer modeling, chromatographic separation factors, and method prediction by artificial neural network
Authors: Tamili Dipshikha , Jana Susovan , Bhattacharjee Paramita
Published: October 2023

This work endeavored to develop a high performance liquid chromatography (HPLC) method for simultaneous quantification of three important biotherapeutic molecules namely, L‐tryptophan, serotonin, and melatonin, present in low amounts in agro‐commodities. In the first approach, using pure chemical standards of the same in a mixture, chromatogram separation parameters such as peak sharpness, peak shouldering, and peak separation were judged by a human panel and biasness‐cum‐decision uncertainties were averted using fuzzy logic analysis. In the second approach, the separation parameters such as peak resolution and separation factors were evaluated to obtain a well‐resolved chromatogram. The parameters of the said separation process were successfully modeled by dimensionless numbers of mass transfer of the analytes in the column; and post‐fitting of mass transfer equations, high R2 was obtained suggesting successful development of the chromatographic process. Euclidean distances between the values of each chromatographic separation parameter and their respective ideal values; the defuzzified scores; findings of mass transfer study; and separation factors concomitantly established that the mobile phase of composition 1% acetic acid in HPLC water (A)–HPLC grade methanol (B) in gradient elution conditions (90% A–10% B) at a flow rate of 1 mL/min could simultaneously quantify the three molecules (μg) in button mushrooms with good resolution. The presence of the said biomolecules in the extract of button mushrooms was also confirmed by electrospray ionization (ESI)‐mass spectrometer (MS). An artificial neural network model (high R2) was also developed for chromatographic users, which would allow accurate prediction of the chromatographic parameters by varying mobile phase composition and flow rates.
Silage production potential of winter cereals and spring corn in rice‐based crop rotations
Authors: Brar Navjot Singh , Hundal Jaspal Singh , Kaur Simerjeet
Published: October 2023

Rice (Oryza sativa L.)–wheat (Triticum aestivum L. emend. Fiori et Paol.) is the main crop rotation in subtropical conditions of northwestern Indo‐Gangetic plains. To meet fodder demand, corn (Zea mays L.) is grown in spring (February–June) for silage making after short duration oilseed crop (Brassica rapa ssp. oleifera) in rice‐based crop rotation. To fulfill the increasing silage demands, production potential of winter cereals for silage making under rice‐based crop rotations was explored. Rice–wheat (for silage)–spring corn (for silage) (R‐W‐SpM) and rice–barley (for silage) (Hordeum vulgare L.)–spring corn (for silage) (R‐B‐SpM) crop rotations were evaluated for silage production in randomized complete block design with four replications during 2020–2021 and 2021–2022. Rice–wheat (for grains) (R‐W) crop rotation was also evaluated for economic comparison of silage production in rice‐based crop rotations. The silage yield of barley was 15.21% higher as compared with wheat, while silage yield of spring corn grown after barley and wheat was statistically similar. The quality of barley silage was better than wheat. The system silage yield (winter cereal + spring corn) was 9.61% higher in R‐B‐SpM than R‐W‐SpM crop rotation. Rice equivalent yield and gross margin of R‐B‐SpM crop rotation (based on silage yield) were 6.54% and 11.02%, respectively higher than R‐W‐SpM. Silage‐based R‐W‐SpM and R‐B‐SpM crop rotations resulted in 79.19% and 98.93%, respectively higher gross margin than R‐W crop rotation.
Eight‐Membered Palladacycle Intermediate Enabled Synthesis of Cyclic Biarylphosphonates
Authors: Yang Xin‐Xin , Wu Ming‐Ying , Wang Shao‐Qiu , Yang Shang‐Dong
Published: October 2023

Transition‐metal‐catalyzed coupling reactions that involve the direct functionalization of insert C−H bond represent one of the most efficient strategies for forming carbon‐carbon bonds. Herein, a palladium‐catalyzed intramolecular C−H bond arylation of triaryl phosphates is reported to access seven‐membered cyclic biarylphosphonate targets. The reaction is achieved via a unique eight‐membered palladacyclic intermediate and shows good functional group compatibility. Meanwhile, the product can be readily converted into other valuable phosphate compounds.
Halogen Bonding Tripodal Metallo‐Receptors for Phosphate Recognition and Sensing in Aqueous‐Containing Organic Media
Authors: Bagha Hena , Hein Robert , Lim Jason Y. C. , Durr Christopher B. , Sambrook Mark R. , Beer Paul D.
Published: October 2023

The anion recognition and electrochemical anion‐sensing properties of halogen‐bonding (XB) tripodal zinc(II) receptors strategically designed and constructed for tetrahedral anion guest binding are described. The XB tris(iodotriazole)‐containing hosts exhibit high affinities and selectivities for inorganic phosphate over other more basic, mono‐charged oxoanions such as acetate and the halides in a competitive CD3CN/D2O (9 : 1 v/v) aqueous solvent mixture. 1H NMR anion binding and electrochemical voltammetric anion sensing studies with redox‐active ferrocene functionalised metallo‐tripodal receptor analogues, reveal each of the XB tripods as superior anion complexants when compared to their tris(prototriazole)‐containing, hydrogen bonding (HB) counterparts, not only exemplifying the halogen bond as a strong alternative interaction to the traditional hydrogen bond for molecular recognition but also providing rare evidence of the ability of XB receptors to preferentially bind the “harder” phosphate oxoanion over the “softer” and less hydrated halides in aqueous containing media.
Marktchancen für den Anlagenbau in der Wasserstoffproduktion
Authors: Haid Michael , Gandert Etwina
Published: October 2023

Für die Energiewende ist der Anlagenbau der Schlüssel zum Erfolg. Der Anlagenbauexperte Michael Haid, CEO der EDL Anlagenbaugesellschaft, erklärt im CITplus‐Interview mit Etwina Gandert, welche Voraussetzungen für das Hochlaufen eine nennenswerten Wasserstoffwirtschaft zu erfüllen sind. Er sieht vor allem in den regulatorischen Anforderungen größere Hindernisse, weniger in den technischen Fragen. Außerdem gibt er eine Ausblick auf die effizienten Nutzung von Wasserstoff als Energieträger und zur Produktion klimaschonenderer Chemieprodukte.
Kühlwassersysteme ohne Biozideinsatz betreiben
Authors: Lindemann Eduard , Havighorst Lars
Published: October 2023

In der Wasserbehandlung von industriellen Verdunstungskühlanlagen gab es über Jahre relativ wenige Innovationen. Doch heute können Biozide durch gutartige Mikroorganismen substituiert werden. Mit der Technologie von Blueactivity und dem Service von Lindemann lässt sich die Kühlwasserbehandlung auf natürliche Mikroorganismen umstellen, was Personal und Kosten spart.
Smart Service für Druckluft und Vakuum
Authors: Brand Andreas
Published: October 2023

Kann Smart Services durch eigenes Personal oder durch Druckluft‐Dienstleister erbracht werden. In der VDMA Orientierungshilfe liegt der Fokus danach auf einzelnen Anwendungsszenarien und beinhaltet auch eine Risikoabschätzung durch erfahrende Druckluft‐ und IT‐Experten.
Design and Synthesis of Novel 2‐Acetamido, 6‐Carboxamide Substituted Benzothiazoles as Potential BRAFV600E Inhibitors – In vitro Evaluation of their Antiproliferative Activity
Authors: Batsi Yakinthi , Antonopoulou Georgia , Fotopoulou Theano , Koumaki Kassandra , Kritsi Eftichia , Potamitis Constantinos , Goulielmaki Maria , Skarmalioraki Salomi , Papalouka Chara , Poulou‐Sidiropoulou Eleni , Kosmidou Vivian , Douna Stavroula , Vidali Maria‐Sofia , Gkotsi Eleni‐Fani , Chatziioannou Aristotelis , Souliotis Vassilis L. , Pletsa Vasiliki , Papadodima Olga , Zoumpourlis Vassilis , Georgiadis Panagiotis , Zervou Maria , Pintzas Alexander , Kostas Ioannis D.
Published: October 2023

The oncogenic BRAFV600E kinase leads to abnormal activation of the MAPK signaling pathway and thus, uncontrolled cellular proliferation and cancer development. Based on our previous virtual screening studies which issued 2‐acetamido‐1,3 benzothiazole‐6‐carboxamide scaffold as active pharmacophore displaying selectivity against the mutated BRAF, eleven new substituted benzothiazole derivatives were designed and synthesized by coupling of 2‐acetamidobenzo[d]thiazole‐6‐carboxylic acid with the appropriate amines in an effort to provide even more efficient inhibitors and tackle drug resistance often developed during cancer treatment. All derived compounds bore the benzothiazole scaffold substituted at position‐2 by an acetamido moiety and at position‐6 by a carboxamide functionality, the NH moiety of which was further linked through an alkylene linker to a sulfonamido (or amino) aryl (or alkyl) functionality or a phenylene linker to a sulfonamido aromatic (or non‐aromatic) terminal pharmacophore in the order −C6H4−NHSO2−R or reversely −C6H4−SO2N(H)−R. These analogs were subsequently biologically evaluated as potential BRAFV600E inhibitors and antiproliferative agents in several colorectal cancer and melanoma cell lines. In all assays applied, one analog, namely 2‐acetamido‐N‐[3‐(pyridin‐2‐ylamino)propyl]benzo[d]thiazole‐6‐carboxamide (22), provided promising results in view of its use in drug development.
What are the most effective exercise, physical activity and dietary interventions to improve body composition in women diagnosed with or at high‐risk of breast cancer? A systematic review and network meta‐analysis
Authors: Kudiarasu Christine , Lopez Pedro , Galvão Daniel A. , Newton Robert U. , Taaffe Dennis R. , Mansell Lorna , Fleay Brianna , Saunders Christobel , Fox‐Harding Caitlin , Singh Favil
Published: October 2023

Background

Obesity has been recognized as a risk factor in the development and recurrence of breast cancer and is also associated with poor prognostic outcomes. This systematic review and network meta‐analysis aimed to identify the most effective exercise, physical activity, and dietary interventions to reduce fat mass, body fat percentage and body weight as well as potentially increase lean mass in women diagnosed with or at high risk of breast cancer.

Methods

A systematic search of databases was performed up to May 2022. Eligible randomized controlled trials examined the effects of exercise, physical activity and/or dietary interventions on fat mass and lean mass in women diagnosed with or at high risk of breast cancer. A random‐effects network meta‐analysis was conducted to determine the effects of different interventions across outcomes when sufficient studies were available.

Results

Eighty‐four studies (n = 6428) were included in this review. Caloric restriction and combined exercise + caloric restriction significantly reduced fat mass (range, –3.9 to –3.7 kg) and body weight (range, –5.3 to –4.7 kg), whereas physical activity + caloric restriction significantly reduced body fat percentage (–2.4%; 95% confidence interval [CI], –3.4% to –13%) and body mass index (–2.2 kg × m–2; 95% CI, –3.0 to –1.4 kg × m–2) in breast cancer patients. Resistance exercise was the most effective intervention to increase lean mass (0.7 kg; 95% CI, 0.5–1.0 kg) in breast cancer patients.

Conclusion

Multimodal exercise and diet programs were the most effective interventions to reduce fat mass, body fat percentage, and body weight and increase and/or preserve lean mass.
Understanding the “zombie cells” that won’t die
Authors: Nelson Bryn , Faquin William
Published: October 2023

This news section is written by a medical journalist and offers Cancer Cytopathology readers timely information on events, issues, and personalities of interest to the subspecialty. In this issue, senescence, a defensive crouch for human cells, is emerging as a highly complicated but newly energized front in the battle against cancer because these “zombie” cells’ refuse to die easily, stop dividing, grow in size, become somewhat disorganized, and start pumping out an array of functionally diverse factors.
Electronic Properties of Transition and Alkaline Earth Metal Doped CuS: A DFT Study
Authors: Oppong‐Antwi Louis , Huang Bosi , Hart Judy N.
Published: October 2023

CuS is a unique semiconductor with potential in optoelectronics. Its unusual electronic structure, including a partially occupied valence band, and complex crystal structure with an S−S bond offer unique opportunities and potential applications. In this work, the use of doping to optimize the properties of CuS for various applications is investigated by density functional theory (DFT) calculations. Among the dopants studied, Ni, Zn, and Mg may be the most practical due to their lower formation energies. Doping with Fe, Ni, or Ca induces significant distortion, which may be beneficial for achieving materials with high surface areas and active states. Significantly, doping alters the conductor‐like behavior of CuS, opening a band gap by increasing bond ionicity and reducing the S−S bond covalency. Thus, doping CuS can tune the plasmonic properties and transform it from a conductor to an intrinsic fluorescent semiconductor. Ni and Fe doping give the lowest band gaps (0.35 eV and 0.39 eV, respectively), while Mg doping gives the highest (0.86 eV). Doping with Mg, Ca, and Zn may enhance electron mobility and charge separation. Most dopants increase the anisotropy of electron‐to‐hole mass ratios, enabling device design that exploits directional‐dependence for improved performance.
Adsorption Mechanism of Benzene Derivatives by Pagoda[n]arenes
Authors: Xi Ziqing , Yang Zhenshan , Zhang Xuecheng , Yuan He , Wang Wanting , He Maoxia , Xie Ju
Published: October 2023

Despite the widespread use in industrial production, benzene derivatives are harmful to both human beings and the environment. The control of these substances has become an important subject of scientific research. This study introduces a new approach for adsorption and separation of benzene derivatives utilizing pagoda[n]arene based supramolecular materials. Density functional theory calculations were employed to investigate the molecular recognition mechanism of benzene derivatives by pagoda[4]arenes and pagoda[5]arenes (Pa[4]As and Pa[5]As). Results indicate that Pa[4]As and Pa[5]As can effectively accommodate benzene derivatives through non‐covalent interactions, leading to the formation of stable host‐guest complexes. Additionally, molecular dynamics simulations revealed that both crystalline and non‐crystalline supramolecular aggregates of Pa[4]As and Pa[5]As possess the ability to adsorb benzene derivatives and maintain the stability of the adsorption. Moreover, increasing the temperature causes benzene derivatives to desorb from the adsorbing aggregates, and thus the material can be reutilized.
Environmental influence on reproductive traits of buffel grass facultative apomictic genotypes and its implication in plant breeding
Authors: Sánchez Miguel A. , Bruno Cecilia I. , Quiroga Mariana P. , Grunberg Karina A. , Griffa Sabrina M.
Published: October 2023

Cenchrus ciliaris L., a perennial C4 grass, is one of the most widely used forage species in warm and dry regions worldwide. The widespread use of the cultivar Texas raises concerns about genetic homogeneity and vulnerability. Hybridizations among facultative individuals could widen the genic pool. Therefore, a reproductive characterization of available genotypes is required. The objective of this study was to determine the reproductive mode, potential sexual expressivity, and seed fertility of four facultative apomictic genotypes throughout the flowering season, considering the influence of bioclimatic variables. We assessed the reproductive mode and potential sexual expressivity using the pistil clearing technique and seed fertility based on the production of seeds per panicle under open pollination and self‐pollination. All the assessed genotypes behaved mainly as out‐crossers throughout the flowering season and showed the highest potential sexual expressivity at the beginning of flowering. We confirmed the environmental influence on reproductive traits. At the beginning of the flowering season, the facultative apomictic genotypes exhibited the highest potential as female parent for hybridizations programs.
Scaling up BiVO4 Photoanodes on Porous Ti Transport Layers for Solar Hydrogen Production
Authors: Patil Kunturu Pramod , Lavorenti Marek , Bera Susanta , Johnson Hannah , Kinge Sachin , van de Sanden Mauritius C. M. , Tsampas Mihalis N.
Published: October 2023

Commercialization of photoelectrochemical (PEC) water‐splitting devices requires the development of large‐area, low‐cost photoanodes with high efficiency and photostability. Herein, we address these challenges by using scalable fabrication techniques and porous transport layer (PTLs) electrode supports. We demonstrate the deposition of W‐doped BiVO4 on Ti PTLs using successive‐ionic‐layer‐adsorption‐and‐reaction methods followed by boron treatment and chemical bath deposition of NiFeOOH co‐catalyst. The use of PTLs that facilitate efficient mass and charge transfer allowed the scaling of the photoanodes (100 cm2) while maintaining ~90 % of the performance obtained with 1 cm2 photoanodes for oxygen evolution reaction, that is, 2.10 mA cm−2 at 1.23 V vs. RHE. This is the highest reported performance to date. Integration with a polycrystalline Si PV cell leads to bias‐free water splitting with a stable photocurrent of 208 mA for 6 h and 2.2 % solar‐to‐hydrogen efficiency. Our findings highlight the importance of photoelectrode design towards scalable PEC device development.
Fully Bio‐Based Ionic Liquids for Green Chemical Modification of Cellulose in the Activated‐State
Authors: Marcos Celada Lukas , Martín Judith , Dvinskikh Sergey V. , Olsén Peter
Published: October 2023

Biopolymers, especially cellulose, are vital to transitioning to a circular economy and reducing our reliance on fossil fuels. However, for many applications a high degree of cellulose hydroxyl modification is necessary. The challenge is that the chemical features of the hydroxyls of cellulose and water are similar. Therefore, chemical modification of cellulose is often explored under non‐aqueous conditions with systems that result in high hydroxyl accessibility and reduce cellulose aggregation. Unfortunately, these systems depend on hazardous and complex solvents from fossil resources, which diverge from the initial sustainability objectives. To address this, we developed three new betaine‐based ionic liquids that are fully bio‐based, scalable, and green. We found that a specific ionic liquid had the perfect chemical features for the chemical activation of cellulose without disturbing its crystalline ordering. The high activation in heterogeneous conditions was exemplified by reacting cellulose with succinic anhydride, resulting in more than 30 % conversion of all hydroxyls on cellulose. Overall, this work opens new perspectives for the derivatization of cellulosic materials while simultaneously “keeping it green”.
Factors affecting the occupancy of sloth bear and its detection probability in Parsa–Koshi Complex, Nepal
Authors: Sharma Hari Prasad , Katuwal Hem Bahadur , Bhattarai Bishnu Prasad , Bhandari Shivish , Adhikari Dipendra , Aryal Bishnu , Tamang Krishna , Nepali Amrit , KC Sabin , Baral Bashu Dev , Devkota Surya , Koirala Sabina , Mandal Dev Narayan , Regmi Sandeep
Published: October 2023

Understanding factors associated with coexistence of human and wildlife in human‐dominated landscapes is crucial for effective species conservation. Among the wildlife species, the sloth bears Melursus ursinus are found both inside and outside the protected areas of Nepal, and with increasing cases of human and bear conflicts in both areas. This highlights the necessity for a comprehensive understanding of anthropogenic and ecological factors that affect the occurrence of sloth bear. The understanding of these factors is important for its coexistence and conservation in human‐dominated areas through establishing management and conservation action plan. We studied the sloth bear's occupancy and their coexistence in human‐dominated environments with other large predators in the Parsa–Koshi Complex of Nepal using camera traps from December 2022 to March 2023. We identified the occupancy and detection probability of the sloth bear as 0.12 and 0.31, respectively. Our analysis reveals a positive relationship between sloth bear occurrence and the presence of large predators (βpredators = 3.104 ± 0.968), such as tigers (Panthera tigris) and leopards (Panthera pardus), as well as the number of humans detected (βhuman = 1.428 ± 1.216) and canopy cover percentage (βcc = 1.002 ± 0.737). However, the number of livestock detected shows a negative interaction with the occurrence of sloth bears (βlivestock = −2.240 ± 1.467). There was insignificant interaction between sloth bear occupancy and distance to human settlements, roads, and water bodies. These findings underscore the complex dynamics between sloth bears, humans, large predators, and livestock in human‐dominated landscapes. To ensure the long‐term survival of sloth bear populations and promote species conservation, comprehensive conservation strategies that account for both ecological and socio‐economic factors are essential.