bluuebunny/crossref_metadata_2025 huggingface dataset:
Microwave-assisted extraction of valuable phenolics from sunflower pomace with natural deep eutectic solvents and food applications of the extracts
Authors: Şen Furkan Burak , Nemli Elifsu , Bekdeşer Burcu , Çelik Saliha Esin , Lalikoglu Melisa , Aşçı Yavuz Selim , Capanoglu Esra , Bener Mustafa , Apak Reşat
Published: July 2024

A green process, both in terms of solvent (natural deep eutectic solvents, NADES) and extraction method (microwave-assisted extraction, MAE) for the recovery of bioactive components from sunflower pomace (SFP, a by-product of oil extraction process), was designed to contribute to their sustainable valorization. For the extraction of valuable phenolics from sunflower pomace, nine potential NADES were prepared. Among them, choline chloride-urea-water (CC-U-W) at a molar ratio of 1:2:4 was selected for extraction, showing better yield and physicochemical properties. Operational parameters (extraction temperature, time, water ratio, and solvent-to-solid ratio) for MAE were optimized and modeled utilizing response surface methodology. Under optimal conditions, the antioxidant properties of SFP extract were evaluated by CUPRAC, ABTS, and DPPH methods. The total phenolic contents of extracts were evaluated by the Folin–Ciocalteu method. Phenolics were characterized by using the HPLC–PDA system. The results showed that SFP NADES extract had potential antioxidant activity which was higher than that of traditional solvents. In order to better evaluate SFP extract as a valuable food ingredient, SFP extracts at a ratio of 5, 10, and 20% added smoothie-like beverages with strawberries and yogurt were prepared. Fortification of beverages with NADES extract enhanced antioxidant efficiency, increasing total antioxidant capacity in a range of 12.4 to 68.6% and free radical scavenging capacity between 0.4 to 67.9% during both the initial and the in vitro gastrointestinal digestion stages. The addition of SFP NADES extract to food samples made a positive contribution in terms of the antioxidant activity of the final product. The results of this study revealed that sunflower by-products can be evaluated as a potential antioxidant source which is easily accessible, and the proposed extraction process has an important potential to recover bioactive compounds with high efficiency.
Effect of bariatric surgery on nutritional and metabolic parameters: does the type of antidepressant medication matter?
Authors: Schwenger Katherine J. P. , Ghorbani Yasaman , Alkass Fadi , Patel Tulasi , Jackson Timothy D. , Okrainec Allan , Allard Johane P.
Published: July 2024

Purpose

Depression is prevalent in patients undergoing bariatric surgery (BSx). Long-term use of antidepressant is associated with weight gain, particularly the use of selective serotonin reuptake inhibitors (SSRIs). Little is known about whether different types of antidepressants affect the response to BSx. The purpose of this study was to determine the relationship between SSRI use and nutritional and biochemical measurements in those with obesity pre-/post-BSx.

Methods

This is a cross-sectional and prospective cohort study. Patients were enrolled pre-BSx and divided into 3 groups: SSRI, non-SSRI and no antidepressant. Nutritional, biochemical and pharmacological data were collected pre- and 6 months post-BSx.

Results

Pre-BSx, 77 patients were enrolled: 89.6% female, median age 45 years and body mass index (BMI) of 45.3 kg/m2. 14.3% were taking SSRIs and had a significantly higher BMI (52.1 kg/m2) compared to 62.3% in no antidepressant (46.0 kg/m2) and 23.4% in non-SSRI antidepressants (43.1 kg/m2). At 6 months post-BSx (n = 58), the SSRI group still had significantly higher BMI in comparison to the other two groups. No other significant differences found between groups.

Conclusion

Despite higher BMI, patients taking SSRI and undergoing BSx had similar responses, based on nutritional and biochemical parameters, to those on non-SSRI or no antidepressants.

Level of evidence

Level III: Evidence obtained from well-designed cohort or case–control analytic studies.
Adsorption-desorption of lead by polycarboxylate-coated bentonite
Authors: Yu Chuang , Zeng Zhi-lei , Cai Xiaoqing , Chen Zhi-hao , Liao Rao-ping
Published: July 2024

To develop more economical and efficient heavy metal adsorbents, natural bentonite was employed as a raw material, and triethoxyvinylsilane served as a grafting agent to achieve the grafting bonding of sodium polyacrylate and bentonite. Structural alterations in the modified bentonite were analyzed through thermogravimetric analysis (TGA), scanning electron microscopy (SEM), and X-ray diffraction (XRD). The adsorption and desorption characteristics of SAPAS-Bentonite and raw bentonite were compared and tested under various conditions, including time, temperature, pH, and lead ion concentration. The adsorption and desorption properties of sodium polyacrylate-grafted bentonite (SAPAS-Bentonite) were compared under various conditions (time, temperature, pH, and lead ion concentration). The results revealed that the modified method successfully achieved nano-scale coating of bentonite particles with sodium polyacrylate, leading to an increase in the maximum adsorption capacity of lead ions by 47.5%, reaching 165.73 mg g. A greater adsorption affinity for lead ions was exhibited by the outer sodium polycarboxylate portion of SAPAS-Bentonite compared with the inner bentonite. The adsorption of internal bentonite was limited by blocking when the adsorption of sodium polyacrylate did not reach the upper limit. The adsorption isotherm shifted from the Langmuir monolayer characteristic of the original bentonite to the S-shaped isotherm, reflecting the sodium polycarboxylate properties of SAPAS-Bentonite. Both bentonites demonstrated strong retention capacity for lead, with SAPAS-Bentonite surpassing raw bentonite in performance. This study provides valuable insights into the potential of SAPAS-Bentonite in the treatment of heavy metal pollution.
Stability of Gaomiaozi bentonite: Interlayer hydration structure and aggregation morphology
Authors: Tan Zhaomin , Fu Chengyun , Henderson Mark Julian , Dai Xuezhi , Cheng Jianfeng , Xie Jingli , Zhu Shan , Yan Minhao
Published: July 2024

The sustainability of high-level radioactive waste repositories situated in fractured crystalline rocks depends on the stability of bentonite liners, and this can pose a problem in certain groundwater conditions that favor the formation of colloids from backfill materials that are prone to erosion. The influence of different environments on the structure of Gaomiaozi bentonite (GMZ) and GMZ colloids (GMZC) is presented here. Different hydrated interlayer structures of bulk and colloidal forms of this bentonite from small-angle X-ray scattering (SAXS) data are demonstrated. Analysis of the scattering data showed that GMZ had three interlayer water structures: dehydrated (0W), monohydrated (1W), and bi-hydrated (2W). The colloids readily agglomerated at acidic pH (pH <5) but showed resistance to agglomeration in an alkaline condition (pH >7). The effect of Na+, K+, Mg2+, and Ca2+ on the lamellar structure and agglomerate morphology of GMZC particles was investigated. In general, the tendency of colloids to agglomerate was greater in the presence of divalent metal cations compared with monovalent metal cations. High concentrations (10–5 to 10–3 mol L–1) of divalent ions imparted order into the stacked lamellar structure after the saturation of the interlayer. In contrast, monovalent ions reduced the tendency of the particles to aggregate, leading to an abundance of colloidal nanoparticles prone to erosion. This work helps to better understand the structural characteristics of GMZC in the groundwater environment, and provides a valuable reference for the evaluation of nuclide migration in the deep geological disposal of high-level radioactive wastes.
Chimpanzee utterances refute purported missing links for novel vocalizations and syllabic speech
Authors: Ekström Axel G. , Gannon Charlotte , Edlund Jens , Moran Steven , Lameira Adriano R.
Published: July 2024

Nonhuman great apes have been claimed to be unable to learn human words due to a lack of the necessary neural circuitry. We recovered original footage of two enculturated chimpanzees uttering the word “mama” and subjected recordings to phonetic analysis. Our analyses demonstrate that chimpanzees are capable of syllabic production, achieving consonant-to-vowel phonetic contrasts via the simultaneous recruitment and coupling of voice, jaw and lips. In an online experiment, human listeners naive to the recordings’ origins reliably perceived chimpanzee utterances as syllabic utterances, primarily as “ma-ma”, among foil syllables. Our findings demonstrate that in the absence of direct data-driven examination, great ape vocal production capacities have been underestimated. Chimpanzees possess the neural building blocks necessary for speech.
Different efficacy of tyrosine kinase inhibitors by KIT and PGFRA mutations identified in circulating tumor DNA for the treatment of refractory gastrointestinal stromal tumors
Authors: Hashimoto Tadayoshi , Nakamura Yoshiaki , Komatsu Yoshito , Yuki Satoshi , Takahashi Naoki , Okano Naohiro , Hirano Hidekazu , Ohtsubo Koushiro , Ohta Takashi , Oki Eiji , Nishina Tomohiro , Yasui Hisateru , Kawakami Hisato , Esaki Taito , Machida Nozomu , Doi Ayako , Boku Shogen , Kudo Toshihiro , Yamamoto Yoshiyuki , Kanazawa Akiyoshi , Denda Tadamichi , Goto Masahiro , Iida Naoko , Ozaki Hiroshi , Shibuki Taro , Imai Mitsuho , Fujisawa Takao , Bando Hideaki , Naito Yoichi , Yoshino Takayuki
Published: July 2024

Background

While advanced gastrointestinal stromal tumors (GISTs) are primarily treated with tyrosine kinase inhibitors (TKIs), acquired resistance from specific mutations in KIT or PDGFRA frequently occurs. We aimed to assess the utility of circulating tumor DNA (ctDNA) as a modality of therapeutic decision-making in advanced GIST.

Methods

We conducted a pooled analysis of SCRUM-Japan studies for advanced GIST patients. We compared patient characteristics analyzed with tissue and blood samples, assessed gene alteration profiles, and evaluated prognostic implications from ctDNA status.

Results

In 133 patients, tissue and blood samples were analyzed for 89 and 44 patients, respectively. ctDNA was detected in 72.7% of cases; no prior treatment or progressive disease was significantly associated with ctDNA-positivity. ctDNA-positive patients had significantly shorter progression-free survival compared with ctDNA-negative patients (hazard ratio = 3.92; P = 0.007). ctDNA genotyping revealed a complex landscape of gene alterations, characterized by multi-exonic mutations in KIT, compared with tissue-based analysis. Patients who received TKIs matched to the identified KIT mutation in ctDNA demonstrated significantly longer PFS than those with unmatched treatment (median, 8.23 vs. 2.43 months; P < 0.001).

Conclusions

ctDNA-based analysis facilitates assessment of disease status and genomic profiles, thus potentially assisting in identifying optimal therapeutic strategies for advanced GIST patients.
Inhalable mucin-permeable nanomicelles deliver antibiotics for effective treatment of chronic pneumonia
Authors: Jiang Zitong , Huo Shaohu , Qiao Lei , Lin Paiyu , Fu Ling , Wu Yaling , Li Wenhong , Bian Chenrong , Li Yaoyao , Li Nan , Cheng Haiyan , Nie Xuan , Ding Shenggang
Published: July 2024

Polymer materials with charge conversion properties can self-assemble into inhalable nano micelles and exhibit a positive charge in the acidic environment of a bacterial infection, enhancing the interaction between the antibiotic and the bacterium.
Baeyer–Villiger oxidation: a promising tool for the synthesis of natural products: a review
Authors: Fatima Summaya , Zahoor Ameer Fawad , Khan Samreen Gul , Naqvi Syed Ali Raza , Hussain Syed Makhdoom , Nazeer Usman , Mansha Asim , Ahmad Hamad , Chaudhry Aijaz Rasool , Irfan Ahmad
Published: July 2024

Baeyer–Villiger oxidation is a renowned reaction that provides an efficient route for the synthesis of biologically active natural products such as alkaloids, terpenoids, polyketides and fatty acid-based naturally occurring organic compounds.
Tailoring of PVDF for retrieval of piezoelectric powders to optimize piezo-catalytic water treatment
Authors: Feng Kaiyu , Zhang Yan , Zhou Xuefan , Zhao Yan , Gong Hanyu , Zhou Xiang , Luo Hang , Zhang Dou , Bowen Chris
Published: July 2024

BT@PDA powder catalysts are gradually anchored onto the surface of porous PVDF via hydrogen bonding. The piezocatalytic performance is comparable to that of using only powder catalysts and limits secondary pollution.
A combination strategy targeting the combustion enhancement of electrically controlled rocket fuels exerts synergistic elimination against zirconium's electrostatic hazards
Authors: Wang Zhiwen , Li Feng , Zhang Qianyi , Ouyang Keer , Shen Ruiqi , Ye Yinghua , DeLuca Luigi T. , Zhang Wei
Published: July 2024

The efforts provide a prospective fate of the zirconium powder with high ESD sensitivity and water-containing electrically controlled rocket fuels possessing poor compatibility with typical high-activity micro-nano metal fuels.
Alumina nanoparticles enable optimal spray-coated perovskite thin film growth on self-assembled monolayers for efficient and reproducible photovoltaics
Authors: Cassella Elena J. , Oliver Robert D.J. , Thornber Timothy , Tucker Sophie , Goodwin Rehmat , Lidzey David G. , Ramadan Alexandra J.
Published: July 2024

An alumina interlayer is developed to facilitate state-of-the-art spray coated perovskite photovoltaics. This enables deposition onto the Me4PACz self-assembled monolayer (SAMs) resulting in power conversion efficiencies >20%.
Examen échographique de l’appareil urinaire chez les bovins sevrés :
quelle place dans l’approche clinique du praticien ?
Authors: Belbis Guillaume , Maillard Renaud , Millemann Yves , Ravary-Plumioën Bérangère , Gaudebout Clémence , Plassard Vincent
Published: July 2024

Le diagnostic des affections rénales est souvent difficile et leur gestion compliquée sur le terrain. En effet, l’exploration des reins à l’examen clinique est parfois limitée (palpation possible de la partie caudale du rein gauche). L’échographie de l’appareil urinaire peut alors être d’une grande aide.

Cet examen nécessite classiquement deux types de sondes : une sonde linéaire de 5 à 7,5 MHz pour la vessie, le rein gauche et les uretères (lors d’anomalie), et une sonde sectorielle de 3,5M Hz pour le rein droit.

Les diagnostics de pyélonéphrite et de cystite (hémorragique ou simple) sont relativement aisés par échographie, et cet outil s’avère performant et pertinent pour établir un diagnostic et un pronostic lors de pyélonéphrite, en permettant de déterminer l’extension de l’affection.
Examen échographique de l’appareil urinaire chez les bovins sevrés :
quelle place dans l’approche clinique du praticien ?
Authors: Ravary-Plumioën Bérangère
Published: July 2024

L’examen échographique de la mamelle chez les ruminants (vaches, chèvres et brebis) permet d’apprécier les différentes structures du trayon et de la glande mammaire.

Cet examen est très facile à réaliser dans les élevages, en utilisant un échographe portable et en comparant le quartier ou trayon supposé atteint avec son homologue contro-latéral.

Il apporte des informations complémentaires à la simple palpation de la mamelle, voire l’analyse bactériologique du lait et le California Mastitis Test.

Cet article résume la technique d’exploration échographique du trayon et de la glande mammaire, avec les images normales attendues et son application clinique en présentant les principales affections pouvant ainsi être mises en évidence.

Ainsi, l’échographie de la mamelle peut être utilisée pour détecter des anomalies localisées ou diffuses en région du trayon à l’origine d’une gêne à l’écoulement du lait, mais aussi une mammite, ou des atteintes du parenchyme mammaire plus difficiles à apprécier par palpation.

Outre le diagnostic, l’échographie apporte des éléments importants en termes de décision thérapeutique et de pronostic de récupération d’une production laitière satisfaisante.
Écorner les veaux efficacement et sans douleur
Authors: Mounaix Béatrice
Published: July 2024

L’écornage est une intervention douloureuse pour les bovins mais cette douleur est souvent sous-estimée car sans conséquence visible sur l’animal.

La cautérisation du bourgeon cornual induit une douleur en trois composantes : le stress lié à la manipulation et/ou la contention du veau, la lésion des tissus et l’inflammation post-écornage.

Réalisée avant 4 semaines d’âge, cette intervention présente moins de risques sanitaires et permet d’intervenir dans de meilleures conditions, réduisant les risques de douleur supplémentaire.

La formation qui associe un technicien formateur en manipulation-contention-écornage et le vétérinaire de l’éleveur permet de sensibiliser les éleveurs à la prise en charge de la douleur et d’améliorer leurs pratiques d’écornage.
Attitude et perceptions des vétérinaires
vis-à-vis du contrôle des parasitoses digestives en élevage bovin laitier
Authors: Merlin Aurélie , Chartier Christophe , Dutertre Matthieu , Duval Julie , Ravinet Nadine
Published: July 2024

Face au risque d’émergence de strongles gastro-intestinaux résistants aux antiparasitaires en production laitière bovine, une enquête a été réalisée auprès des vétérinaires praticiens afin d’appréhender leurs perceptions et leurs attitudes à l’égard des moyens de lutte actuel et de leur évolution.

Treize entretiens semi-directifs et 50 questionnaires en ligne ont été réalisés au printemps 2016. Les vétérinaires reconnaissent la nécessité d’appréhender les traitements de manière raisonnée et ont une opinion positive des nouvelles pratiques de traitement ciblé, notamment chez les animaux adultes.

Ils considèrent que l’évolution des pratiques par les éleveurs est étroitement liée aux activités de conseil et de service en parasitologie, mais que le développement de ces dernières est freiné par la difficulté de rémunération, le manque de temps et de compétence et la faible demande des éleveurs. Ce travail montre également l’importance de la communication avec l’éleveur et la nécessité pour le vétérinaire d’être proactif dans la gestion des parasitoses digestives.
Mort subite au pré des ovins
Authors: Autef Pierre
Published: July 2024

Les urgences obstétricales constituent une part non négligeable de l’activité d’un vétérinaire en médecine bovine. En pratique ovine, pour diverses raisons (économiques, interventionnisme de l’éleveur, …), elles sont plus rares.

Néanmoins, il est important pour le praticien, de les résoudre correctement, ce qu’il effectue en général aisément, mais aussi de proposer des méthodes préventives afin de prévenir ces situations d’urgence.

Autour des mises bas, en particulier dans des ateliers où de nombreuses brebis agnèlent en peu de temps, l’urgence à laquelle est confronté l’éleveur, puis le praticien, peut survenir avant le terme avec des prolapsus vaginaux, des avortements, et/ou au terme de différentes situations de dystocie à l’agnelage
Syndrome jéjunal hémorragique :
une maladie émergente
Authors: Salat Olivier , Perrot Florent , Lemaire Guillaume
Published: July 2024

Le syndrome jéjunal hémorragique a été décrit pour le première fois au début des années 1990 en Amérique et dans les années 2000 en France. Depuis cette époque, il est devenu régulièrement rencontré en pratique courante.

Il n’affecte que les bovins adultes et il ne semble pas y avoir de différences d’atteinte entre les races et les sexes. C’est une affection sans signe pathognomonique, caractérisée par la présence d’un iléus intestinal provoqué par un hématome intraluminal ou intramural affectant le plus souvent le jéjunum et parfois le duodénum.

Le seul traitement résolutif est chirurgical, massage ou entérectomie. Les perturbations, en particulier électrolytiques, doivent également être corrigées (fluidothérapie). Une intervention précoce améliore le pronostic, mais des risques élevés de rechute demeurent.

L’étiologie de ce syndrome n’est pas encore clairement établie : il semble que sa survenue nécessité l’action combinée de deux agents, l’un bactérien (Clostridium perfringens de type A ou Escherichia coli producteurs de shigatoxines – STEC) et l’autre d’origine mycotique, probablement par l’intermédiaire d’une mycotoxine. Il reste encore à mieux comprendre sa physiopathologie pour proposer des mesures réellement préventives.
Particularités de l’antibiothérapie raisonnée
chez les caprins
Authors: Salles Elodie , Djelouadji Zorée , Prouillac Caroline
Published: July 2024

L’espèce caprine est considérée comme une espèce mineure. Une des conséquences est l’accès à un arsenal thérapeutique limité adapté à cette espèce, y compris en antibiotiques.

Le vétérinaire est dans l’obligation de mettre en application régulièrement le principe de la cascade en extrapolant des indications et des posologies d’autres espèces avec le risque d’erreur de dosage, en raison du faible nombre de données pharmacocinétiques chez la chèvre.

D’autre part, la prescription hors AMM (Autorisation de Mise sur le Marché) est autorisée, elle doit s’accompagner de la mise en place de délais d’attente forfaitaires peu adaptés à cette filière essentiellement laitière.

Ce travail de synthèse permet de faire le point sur la disponibilité des antibiotiques en filière caprine.

Il met également en évidence l’absence de spécialités essentielles au traitement de certaines infections bactériennes alors que d’autres spécialités ont un intérêt limité au regard des connaissances actuelles dans le domaine de l’antibiothérapie et/ou des connaissances concernant la résistance des bactéries responsables.
Persistance de l’anaplasmose granulocytaire dans les troupeaux bovins :
problème d'immunité ou co-circulation de différentes souches ?
Authors: Lagrée Anne-Claire , Rouxel Clotilde , Deshuillers Pierre , Boulouis Henri-Jean , Haddad Nadia , Vitour Damien
Published: July 2024

L’anaplasmose granulocytaire ou ehrlichiose, due à l’infection par Anaplasma phagocytophilum, est une maladie bactérienne liée à la présence de tiques, à l’origine de lourdes pertes économiques en élevage, consécutives notamment à la chute de production laitière, aux avortements et aux surinfections fréquentes suite au déficit immunitaire induit.

Les signes cliniques apparaissent en général lors de primo-infection, mais les veaux et les génisses non gestantes présentent le plus souvent des formes asymptomatiques ou atténuées de la maladie.

Les mesures de prévention consistent à limiter les contacts des femelles gestantes avec les tiques et à faire sortir les veaux et les génisses non gestantes sur les pâtures à risque afin de favoriser le développement d’une immunité de prémunition.

Cependant, certains élevages bovins présentent plusieurs épisodes cliniques successifs d’anaplasmose granulocytaire, notamment chez les adultes, entraînant des pertes économiques, malgré les mesures mises en place chez les jeunes animaux.

L’existence de variants génétiques d’A. phagocytophilum circulant concomitamment au sein d’un élevage, ainsi que les risques de réinfection ou de coinfection par deux variants ou avec une autre espèce bactérienne, pourraient expliquer l’apparition de ces épisodes cliniques successifs.
Encéphalite à tique en élevage : les produits au lait cru
peuvent être source de contamination humaine
Authors: Beck Cécile , Lecollinet Sylvie , Gonzalez Gaelle , Lacour Sandrine A. , Moutailler Sara , Bournez Laure
Published: July 2024

L’encéphalite à tique est une maladie peu connue des vétérinaires avec pourtant un nombre de cas humains en Europe en constante augmentation ces dernières années.

Les deux grandes voies de contamination humaine sont la piqûre par une tique infectée et la contamination alimentaire issue de produits laitiers non pasteurisés.

A titre d’exemple, pour la première fois en France, 44 cas d’encéphalite à tique ont été comptabilisés en 2020 suite à la consommation de fromages de chèvre au lait cru provenant d’une même exploitation.

Face à cette menace, le vétérinaire a un rôle de conseil aux éleveurs lors d’infection du troupeau par le virus de l’encéphalite à tique afin de protéger le consommateur et d’arrêter le cycle de transmission du virus. La prévention consiste avant tout à :

1. empêcher les piqûres des tiques sur les animaux par l’administration de traitements acaricides sur les élevages bovins et ovins (pas de médicaments antiparasitaires possédant une AMM chez la chèvre) ;

2. interdire l’accès des animaux aux zones boisées des pâtures entre le début du printemps et le début de l’automne ;

3. en cas de contamination alimentaire fortement suspectée, de rechercher, en lien avec la DDPP, les animaux excréteurs du virus par prélèvement de lait individuel et envoi au Laboratoire National de Référence (LNR) de l’Anses Maisons-Alfort pour analyse moléculaire (RT-PCR).
Prévalence et impact de l’hypocalcémie subclinique
en élevage bovin laitier : quelles nouveautés ?
Authors: Raboisson Didier , Karl Florian , Robcis Rodolphe , Lesueur Jérémy , Herman Nicolas
Published: July 2024

L’hypocalcémie en élevage bovin laitier (inférieur à 2,0-2,15 mmol/L à J2 ou J3 postpartum) est fréquente, en particulier chez les multipares, malgré un bilan alimentaire cation anion (BACA) de la ration des vaches taries adéquate. Dans les mêmes études, la prévalence de l’hypocalcémie clinique reste faible à très faible (quelques p. cent).

Les vaches avec des productions laitières plus élevées ont tendance à un risque accru d’hypocalcémie subclinique, en particulier à J1 postpartum.

L’association entre hypocalcémie subclinique et troubles zootechniques ou sanitaires (métrite puerpérale, cétose, déplacement de caillette) est bien décrite, en particulier pour les métrites puerpérales et les performances de reproduction. Toutefois, l’association est bien plus forte et systématique lors d’hypocalcémies persistantes (J1 à J4 postpartum) ou tardives (J3, J4 postpartum ou après).

De plus, les risques d’hypocalcémie subclinique et de cétose subclinique sont positivement corrélés, et il reste parfois difficile d’imputer les conséquences zootechniques et sanitaires à l’une ou à l’autre.

Les données disponibles à ce jour montrent toutefois que l’hypocalcémie subclinique a des conséquences propres sur les évènements zootechniques et sanitaires du postpartum, suggérant de reconsidérer son importance en élevage bovin laitier.
Études de cas en alimentation des ruminants :
génisses laitières prépartum en vêlage précoce
Authors: Enjalbert Francis
Published: July 2024

Afin de couvrir les besoins de croissance de génisses laitières de deux ans ou moins en prépartum, il est indispensable de leur distribuer une ration plus riche en énergie et protéines qu’aux vaches adultes.

Si génisses et adultes sont dans le même lot en période prépartum, il est préférable de donner à tous les animaux une ration formulée pour les génisses.
Synthesis of Bifluorenylidene- and Cycloocta[1,2,3-jk:6,5,4-j′k′]difluorene-Extended Tetrathiafulvalenes: Novel Multi-Redox Systems
Authors: Nielsen Mogens Brøndsted , Hansen Jonathan Kirschner Solberg
Published: July 2024

Herein, we present the synthesis of a novel 9,9′-bifluorenylidene-extended tetrathiafulvalene (TTF) as an E/Z isomeric mixture that was found to readily undergo an oxidative dimerization to furnish a TTF vinylogue with the two dithiafulvene units connected to an eight-membered ring fused to a bifluorenylidene core. This compound exhibited multiredox behavior and was found to take six charge states under cyclic voltammetry conditions: –2, –1, 0, +1, +2, +3. The dication corresponds to a cycloocta[1,2,3-jk:6,5,4-j′k′]difluorene with two appended 1,3-dithiolium rings.
Reductive Electrophilic Cross-Coupling for Constructing C(sp3)–C(sp3) Bonds
Authors: Qiu Youai , Li Pengfei
Published: July 2024

The C(sp3)–C(sp3) bond is one of the most prevalent motifs in organic compounds and holds significant importance in organic synthesis. The utilization of two alkyl electrophiles for cross-coupling stands as a vital strategy in building C(sp3)–C(sp3) bonds. Nowadays, synthetic electrochemistry is undergoing rapid development owing to its exceptional attributes not only in terms of green and economic properties by reducing the large amount of traditional chemical reductants, but also by its capacity to generate highly reactive radical intermediates under mild conditions, thereby opening up new reaction pathways and presenting novel opportunities to constructing C(sp3)–C(sp3) bonds. This article aims to comprehensively delineate the historical development of traditional electrophilic reagents in constructing C(sp3)–C(sp3) bonds, while also delving into the advantages of electrochemical electrophilic cross-coupling in this domain.

1 Introduction

2 Case Studies of Nickel-Catalyzed and Photochemical Alkyl Halide Cross-Coupling

3 Case Studies of Electrocatalyzed Approaches for the Construction of C(sp3)–C(sp3) Bonds Using Electrophilic Reagents

4 Nickel-Electrocatalyzed C(sp3)–C(sp3) Cross-Coupling of Unactivated Alkyl Halides

5 Conclusion
Generalized complex Hermite polynomials with associated nonlinear coherent states
Authors: Ahbli Khalid , El Wassouli Fouzia , Mouayn Zouhaïr
Published: July 2024

While dealing with a class of generalized complex Hermite polynomials, we discuss some of their basic properties and we give operational formulae of Burchnall-type. New results, including a Nielsen identity, a generating function and a Runge addition formula are derived. These polynomials may also be used to define a set of nonlinear coherent states for the harmonic oscillator. They may also be viewed as eigenfunctions of a Landau-type operator.
Electric-field induced phase separation and dielectric breakdown in leaky dielectric mixtures: Thermodynamics and kinetics
Authors: Zhang Haodong , Wang Fei , Nestler Britta
Published: July 2024

Dielectric materials form the foundation of many electronic devices. When connected to a circuit, these materials undergo changes in microscopic morphology, such as the demixing of dielectric mixtures through phase separation and dielectric breakdown, resulting in the formation of micro-filaments. Consequently, the macroscopic properties and lifespan of the devices are significantly altered. To comprehend the physical mechanisms behind it, we conducted a systematic investigation of the thermodynamics of multicomponent leaky dielectric materials. Beginning with the total energy functional, we derived expressions for the binodal composition, spinodal composition, and critical points. Furthermore, we constructed and validated theoretical phase diagrams for the binary leaky dielectric mixture, incorporating three crucial freedoms: composition, temperature, and electric field strength. In addition, we analyzed the equilibrium interfacial tension impacted by the electric field and studied the dynamic aspects of dielectric materials, examining two morphological transformations: electrostriction and dielectric breakdowns. Our analysis unveiled a connection between these dynamic phenomena and the electric field-induced interfacial instability. The present work is expected to be supportive of future research on multicomponent dielectric materials by offering a comprehensive understanding of their thermodynamic and kinetic behaviors.
Theoretical study on the photovoltaic application prospect of emerging three-dimensional organosulfide-halide perovskites (CYS)PbX2 (X = Cl, Br, and I)
Authors: Luo Jun , Lei J. H. , Pan Ling-Yu , Liu Biao , Yang Jun-Liang , Cai Meng-Qiu
Published: July 2024

The large Stokes shifts usually result in open circuit voltage (VOC) reduction, which will affect the photovoltaic performance of the material. Recently, three-dimensional organosulfide-halide perovskites (CYS)PbCl2 and (CYS)PbBr2 [CYS: +NH3(CH2)2S−] have received much attention in the photovoltaic field due to their higher stability and similar photoelectric properties (desirable direct bandgap, band dispersion, and light absorption) than MAPbX3 (X = Cl, Br, and I). Unfortunately, both materials exhibit large Stokes shifts emission. Thus, to be clear about their application prospects in the photovoltaic field, the origin of the large Stoke shift needs to be investigated. Moreover, the bandgaps of (CYS)PbBr2 (2.17 eV) and (CYS)PbCl2 (2.32 eV) are higher than the ideal bandgap value of (0.9–1.6 eV) for photovoltaic materials. Based on density functional theory, this paper explores the cause of large Stokes shifts and further improves the photovoltaic performance of the materials by halogen substitution. The calculation results show that the large Stokes shifts come from defect emission rather than intrinsic self-trapping emission and the I atom substitution can reduce the bandgap [(CYS)PbI2; gap = 1.85 eV] and enhance the optical absorption and carrier migration ability without destroying the direct bandgap. Our research will promote the experimental synthesis of more excellent perovskite photovoltaic materials.
SrRuO3 under tensile strain: Thickness-dependent electronic and magnetic properties
Authors: Wakabayashi Yuki K. , Kobayashi Masaki , Seki Yuichi , Yamagami Kohei , Takeda Takahito , Ohkochi Takuo , Taniyasu Yoshitaka , Krockenberger Yoshiharu , Yamamoto Hideki
Published: July 2024

The burgeoning fields of spintronics and topological electronics require materials possessing a unique combination of properties: ferromagnetism, metallicity, and chemical stability. SrRuO3 (SRO) stands out as a compelling candidate due to its exceptional combination of these attributes. However, understanding its behavior under tensile strain, especially its thickness-dependent changes, remains elusive. This study employs machine-learning-assisted molecular beam epitaxy to investigate tensile-strained SRO films with thicknesses from 1 to 10 nm. This work complements the existing focus on compressive-strained SRO, opening a new avenue for exploring its hitherto concealed potential. Using soft x-ray magnetic circular dichroism, we uncover an intriguing interplay between film thickness, electronic structure, and magnetic properties. Our key findings reveal an intensified localization of Ru 4d t2g-O 2p hybridized states at lower thicknesses, attributed to the weakened orbital hybridization. Furthermore, we find a progressive reduction of magnetic moments for both Ru and O ions as film thickness decreases. Notably, a non-ferromagnetic insulating state emerges at a critical thickness of 1 nm, marking a pivotal transition from the metallic ferromagnetic phase. These insights emphasize the importance of considering thickness-dependent properties when tailoring SRO for next-generation spintronic and topological electronic devices.
Analyzing wave structure and bifurcation in geophysical Boussinesq-type equations
Authors: Sahoo Mrutyunjaya , Chakraverty Snehashish
Published: July 2024

This article investigates the traveling wave solution for a geophysical Boussinesq-type equation that models equatorial tsunami waves. The discussed structure exhibits explicit traveling wave solutions characterized by speeds surpassing the linear propagation speed and small amplitude wave near-field variables. A combination of traveling wave transformation, tanh method, extended tanh method, and a modified form of extended tanh method are implemented, leading to some new traveling wave solutions for the referred nonlinear model. Through the appropriate selection of parameters, the research employs two-dimensional, three-dimensional, and contour plots to showcase the characteristics of specific solutions. The presented visual representation serves as an efficient means to understand the nature of these solutions. This research further extends its investigation by transforming the considered equation into a planar dynamical structure. Through this transformation, all potential phase portraits of the dynamical system are thoroughly examined, utilizing the theory of bifurcation. In addition, this work investigates the modulation of instability in the governing equation using the linear stability analysis function. Importantly, all the newly derived solutions conform to the main equation when substituted into it. The obtained results demonstrate the effectiveness, conciseness, and efficiency of the applied techniques. These strategies have the potential to be useful in scrutinizing more complex models that appear in modern science and engineering.
Surrogate modeling of urban boundary layer flows
Authors: Hora Gurpreet S. , Giometto Marco G.
Published: July 2024

Surrogate modeling is a viable solution for applications involving repetitive evaluations of expensive computational fluid dynamics models, such as uncertainty quantification and inverse problems. This study proposes a multi-layer perceptron (MLP) based machine-learning surrogate for canopy flow statistics accommodating any approaching mean-wind angle. The training and testing of the surrogate model are based on results from large-eddy simulations of open-channel flow over and within surface-mounted cubes (fixed geometry) under neutral ambient stratification. The training dataset comprises flow statistics from various approaching mean-wind angles, and the surrogate is asked to “connect between the dots,” i.e., to predict flow statistics for unseen values of the approaching mean-wind angle. The MLP performance is compared against a more traditional spline-based interpolation approach for a range of training data. In terms of relative mean absolute errors on individual flow statistics, the proposed MLP surrogate consistently outperforms the spline interpolation, especially when the number of training samples is reduced. The MLP model accurately captures mean profiles and three-dimensional flow variability, offering robust predictions, even when trained with as few as four approaching wind angles. The model is 104× faster than large-eddy simulations, thus proving effective for multi-query tasks in the context of urban canopy flow modeling.
A flow structure design based novel micro heatsink
Authors: Kumar Vivek , Mondal Sirshendu , Datta Aparesh , Agrawal Amit
Published: July 2024

In the modern world, recent technological advancement in various fields of science leads to the emergence of very tiny electronic devices, which require highly efficient cooling for prolonged functioning. Thus, designing a novel micro heatsink with a cutting-edge geometric configuration, which can cool these sophisticated devices at lower pressure drop, is most desirable. A three-dimensional numerical study of conjugate heat transfer has been carried out to propose a micro heatsink design having disruptive structures placed in a regular and staggered pattern along the length of the rectangular microchannel about the longitudinal vertical midplane. Heatsinks are made of silicon with rectangular channels, and disruptive structures like microchambers, secondary branches, and blockages engraved in them. The effectiveness of these disruptive structures is analyzed using performance parameters like heat transfer, friction factor, thermal performance (TP), and entropy generation (EG) due to heat transfer, entropy generation due to pressure drop, and entropy generation number (EGN) over a Reynolds number (Re) ranging from 65 to 530. Deionized water is used as a working fluid. A heatsink design having the highest TP and minimum EGN has been identified from the rigorous analysis among the microchannels of aligned microchamber, oblique microchamber, secondary branch and blockage, and oblique microchamber with secondary branch and blockage (OMSBB). The best configuration has been determined based on the highest TP, i.e., highest heat transfer with the same pumping power and lowest EGN, i.e., minimum heatsink temperature. OMSBB is found to be the best among all the channels. Later, the parametric variation of the angle of the secondary branch, position of the secondary branch, length of the microchamber, and pitch distance has been done to find the best combination of geometrical dimensions having maximum TP and minimum EGN. The values have been obtained equal to 1.71 and 0.55, respectively, at Re of 397. The significant roles of the longitudinal and transverse vortex, recirculation, and area of heat transfer on the augmentation of heat transfer and minimizations of EG mechanism with the alteration of geometrical parameters are exploited and described explicitly. Finally, correlations have been established meticulously based on response surface methodology between heat transfer enhancement and rise in pressure drop dependence on geometric parameters.
cclib 2.0: An updated architecture for interoperable computational chemistry
Authors: Berquist Eric , Dumi Amanda , Upadhyay Shiv , Abarbanel Omri D. , Cho Minsik , Gaur Sagar , Cano Gil Victor Hugo , Hutchison Geoffrey R. , Lee Oliver S. , Rosen Andrew S. , Schamnad Sanjeed , Schneider Felipe S. S. , Steinmann Casper , Stolyarchuk Maxim , Vandezande Jonathon E. , Zak Weronika , Langner Karol M.
Published: July 2024

Interoperability in computational chemistry is elusive, impeded by the independent development of software packages and idiosyncratic nature of their output files. The cclib library was introduced in 2006 as an attempt to improve this situation by providing a consistent interface to the results of various quantum chemistry programs. The shared API across programs enabled by cclib has allowed users to focus on results as opposed to output and to combine data from multiple programs or develop generic downstream tools. Initial development, however, did not anticipate the rapid progress of computational capabilities, novel methods, and new programs; nor did it foresee the growing need for customizability. Here, we recount this history and present cclib 2, focused on extensibility and modularity. We also introduce recent design pivots—the formalization of cclib’s intermediate data representation as a tree-based structure, a new combinator-based parser organization, and parsed chemical properties as extensible objects.
Unraveling the role of physicochemical differences in predicting protein–protein interactions
Authors: Teimouri Hamid , Medvedeva Angela , Kolomeisky Anatoly B.
Published: July 2024

The ability to accurately predict protein–protein interactions is critically important for understanding major cellular processes. However, current experimental and computational approaches for identifying them are technically very challenging and still have limited success. We propose a new computational method for predicting protein–protein interactions using only primary sequence information. It utilizes the concept of physicochemical similarity to determine which interactions will most likely occur. In our approach, the physicochemical features of proteins are extracted using bioinformatics tools for different organisms. Then they are utilized in a machine-learning method to identify successful protein–protein interactions via correlation analysis. It was found that the most important property that correlates most with the protein–protein interactions for all studied organisms is dipeptide amino acid composition (the frequency of specific amino acid pairs in a protein sequence). While current approaches often overlook the specificity of protein–protein interactions with different organisms, our method yields context-specific features that determine protein–protein interactions. The analysis is specifically applied to the bacterial two-component system that includes histidine kinase and transcriptional response regulators, as well as to the barnase–barstar complex, demonstrating the method’s versatility across different biological systems. Our approach can be applied to predict protein–protein interactions in any biological system, providing an important tool for investigating complex biological processes’ mechanisms.
Construction of diabatic potential energy surfaces for the SiH2+ system and dynamics studies of the Si+(2P1/2, 3/2) + H2 reaction
Authors: Li Wentao , Liang Yongping , Niu Xianghong , He Di , Xing Wei , Zhang Yong
Published: July 2024

The construction of diabatic potential energy surfaces (PESs) for the SiH2+ system, related to the ground (12A′) and excited states (22A′), has been successfully achieved. This was accomplished by utilizing high-level ab initio energy points, employing a neural network fitting method in conjunction with a specifically designed function. The newly constructed diabatic PESs are carefully examined for dynamics calculations of the Si+(2P1/2, 3/2) + H2 reaction. Through time-dependent quantum wave packet calculations, the reaction probabilities, integral cross sections (ICSs), and differential cross sections (DCSs) of the Si+(2P1/2, 3/2) + H2 reaction were reported. The dynamics results indicate that the total ICS is in excellent agreement with experimental data within the collision energy range studied. The results also indicate that the SiH+ ion is hardly formed via the Si+(2P3/2) + H2 reaction. The results from the DCSs suggest that the “complex-forming” reaction mechanism predominates in the low collision energy region. Conversely, the forward abstraction reaction mechanism is dominant in the high collision energy region.
Estimating metastable thermodynamic properties by isochoric extrapolation from stable states
Authors: Aasen Ailo , Hammer Morten , Reguera David , Wilhelmsen Øivind
Published: July 2024

The description of metastable fluids, those in local but not global equilibrium, remains an important problem of thermodynamics, and it is crucial for many industrial applications and all first order phase transitions. One way to estimate their properties is by extrapolation from nearby stable states. This is often done isothermally, in terms of a virial expansion for gases or a Taylor expansion in density for liquids. This work presents evidence that an isochoric expansion of pressure at a given temperature is superior to an isothermal density expansion. Two different isochoric extrapolation strategies are evaluated, one best suited for vapors and one for liquids. Both are exact for important model systems, including the van der Waals equation of state. Moreover, we present a simple method to evaluate all the coefficients of the isochoric expansion directly from a simulation in the canonical ensemble. Using only the properties of stable states, the isochoric extrapolation methods reproduce simulation results with Lennard-Jones potentials, mostly within their uncertainties. The isochoric extrapolation methods are able to predict deeply metastable pressures accurately even from temperatures well above the critical. Isochoric extrapolation also predicts a mechanical stability limit, i.e., the thermodynamic spinodal. For water, the liquid spinodal pressure is predicted to be monotonically decreasing with decreasing temperature, in contrast to the re-entrant behavior predicted by the direct extension of the reference equation of state.