Multicoverage Study of Femtosecond Laser-Induced Desorption of CO from Pd(111).

We study the strong coverage dependence of the femtosecond laser-induced desorption of CO from Pd(111) using molecular dynamics simulations that consistently include the effect of the laser-induced hot electrons on both the adsorbates and surface atoms. Adiabatic forces are obtained from a multicoverage neural network potential energy surface that we construct using data from density functional theory calculations for 0.33 and 0.75 monolayer (ML). Our molecular dynamics simulations performed for these two trained coverages and an additional intermediate coverage of 0.60 ML reproduce well the peculiarities of the experimental findings. The performed simulations also permit us to disentangle the relative role played by the excited electrons and phonons on the desorption process and discover interesting properties of the reaction dynamics as the relevance that the precursor physisorption well acquires during the dynamics as coverage increases.

Early evidence on how Industry 4.0 reshapes MNEs' global value chains: The role of value creation versus value capturing by headquarters and foreign subsidiaries.

In anticipation of the upcoming changes and turbulence caused by Industry 4.0, in which digital integration connects all value chain members, managers at leading multinational enterprises (MNEs) are scrambling to predict the associated changes in the market. This pioneering study advances our understanding by investigating the impact of an MNE's Industry 4.0 orientation on the globalization of its value chain network. Identifying two types of value-generation activities as potential moderators, namely value creation and value capturing, we compare the moderation effects when these activities are conducted by headquarters versus foreign subsidiaries. We test the proposed model using a panel dataset comprising 5572 subsidiary-year observations from 358 Korean MNEs from 2011 to 2019. The results show that an MNE's Industry 4.0 orientation leads to a more rapid expansion of its distribution network than of its supplier network. Furthermore, value creation by headquarters has a stronger positive impact on the globalization of its distribution network than that of its supplier network, whereas value creation by subsidiaries has a stronger positive impact on the globalization of its supplier network than that of its distribution network. However, value capturing has a stronger impact on the globalization of the MNE's distribution network than that of its supplier network when performed by both locations. This study concludes by discussing the theoretical and managerial implications.

En prévision des turbulences et des changements à venir causés par l'Industrie 4.0 dans laquelle l'intégration numérique relie tous les membres de la chaîne de valeur, les managers des grandes entreprises multinationales (Multinational Enterprises - MNEs) s'efforcent de prévoir les changements associés sur le marché. Cette recherche pionnière fait progresser notre connaissance en étudiant l'impact de l'orientation vers l'Industrie 4.0 des MNEs sur la globalisation de leurs réseaux de chaîne de valeur. En identifiant deux types d'activités génératrices de valeur comme modérateurs potentiels, à savoir la création de valeur et la capture de valeur, nous comparons les effets modérateurs lorsque ces activités sont menées par le siège social versus les filiales étrangères. Nous testons le modèle proposé à l'aide d'un ensemble de données de panel comprenant 5 572 observations d'année-filiale de 358 MNEs coréennes durant la période 2011 - 2019. Les résultats montrent que l'orientation vers l'Industrie 4.0 d'une MNE conduit à une expansion de son réseau de distribution plus rapide que celle de son réseau de fournisseurs. En outre, la création de valeur par le siège social a un impact positif plus fort sur la globalisation de son réseau de distribution que sur celle de son réseau de fournisseurs, tandis que la création de valeur par les filiales exerce un impact positif plus fort sur la globalisation de son réseau de fournisseurs que sur celle de son réseau de distribution. Néanmoins, la capture de valeur a un impact plus fort sur la globalisation du réseau de distribution d'une MNE que sur celle de son réseau de fournisseurs lorsqu'elle est réalisée par les deux sites. Cette recherche se termine par une discussion des implications théoriques et managériales.

Anticipándose a los próximos cambios y turbulencias causadas por la Industria 4.0, en la cual la integración digital conecta a todos los miembros de la cadena de valor, los gerentes de las principales empresas multinacionales (EMN) se esfuerzan por predecir los cambios asociados en el mercado. Este estudio pionero avanza en nuestra comprensión investigando el impacto de la orientación de la Industria 4.0 de una EMN en la globalización de su red de cadena de valor. Al identificar dos tipos de actividades de generación de valor como moderadores potenciales, es decir, la creación de valor y la captura de valor, comparamos los efectos moderadores cuando estas actividades son llevadas a cabo por la casa matriz frente a las filiales extranjeras. Pusimos a prueba el modelo propuesto utilizando un conjunto de datos de panel que comprende 5.572 observaciones de años subsidiarios de 358 empresas multinacionales coreanas de 2011 a 2019. Los resultados muestran que la orientación a la Industria 4.0 de una empresa multinacional lleva a una expansión más rápida de su red de distribución que de su red de proveedores. Adicionalmente, la creación de valor por parte de la casa matriz tiene un impacto positivo más fuerte en la globalización de su red de distribución que en la de su red de proveedores, mientras que la creación de valor por parte de las filiales tiene un impacto positivo más fuerte en la globalización de su red de proveedores que en la de su red de distribución. Sin embargo, la captura de valor tiene un impacto más fuerte en la globalización de la red de distribución de la empresa multinacional que en la de su red de proveedores cuando es realizada en ambos lugares. El estudio concluye con un análisis de las implicaciones teóricas y gerenciales.

Antecipando as próximas mudanças e turbulências causadas pela Indústria 4.0, na qual integração digital conecta todos os membros da cadeia de valor, gerentes de principais empresas multinacionais (MNEs) estão se esforçando para prever as mudanças associadas no mercado. Este estudo pioneiro avança nosso entendimento ao investigar o impacto da orientação de uma MNE na Indústria 4.0 na globalização de sua rede de cadeia de valor. Ao identificar dois tipos de atividades de geração de valor como potenciais moderadores, a saber, criação de valor e captura de valor, comparamos os efeitos moderadores quando essas atividades são conduzidas pela matriz versus subsidiárias estrangeiras. Testamos o modelo proposto usando um conjunto de dados em painel compreendendo 5.572 observações subsidiária-ano de 358 MNEs coreanas de 2011 a 2019. Os resultados mostram que uma orientação para a Indústria 4.0 por uma MNE leva a uma expansão mais rápida de sua rede de distribuição do que de sua rede de fornecedores. Além disso, a criação de valor pela matriz tem um impacto positivo mais forte na globalização de sua rede de distribuição do que na rede de fornecedores, enquanto a criação de valor pelas subsidiárias tem um impacto positivo mais forte na globalização de sua rede de fornecedores do que na rede de distribuição. No entanto, a captura de valor tem um impacto mais forte na globalização da rede de distribuição da MNE do que na rede de fornecedores quando realizada por ambas as localidades. Este estudo conclui discutindo as implicações teóricas e gerenciais.

Construction and analysis of gene co-expression network in the pathogenic fungus Ustilago maydis.

Introduction: Biological systems respond to environmental disturbances and a wide range of compounds through complex gene interaction networks. The enormous growth of experimental information obtained using large-scale genomic techniques such as microarrays and RNA sequencing led to the construction of a wide variety of gene co-expression networks in recent years. These networks allow the discovery of clusters of co-expressed genes that potentially work in the same process linking them to biological processes often of interest to industrial, medicinal, and academic research. Methods: In this study, we built the gene co-expression network of Ustilago maydis from the gene expression data of 168 samples belonging to 19 series, which correspond to the GPL3681 platform deposited in the NCBI using WGCNA software. This network was analyzed to identify clusters of co-expressed genes, gene hubs and Gene Ontology terms. Additionally, we identified relevant modules through a hypergeometric approach based on a predicted set of transcription factors and virulence genes. Results and Discussion: We identified 13 modules in the gene co-expression network of U. maydis. The TFs enriched in the modules of interest belong to the superfamilies of Nucleic acid-binding proteins, Winged helix DNA-binding, and Zn2/Cys6 DNA-binding. On the other hand, the modules enriched with virulence genes were classified into diseases related to corn smut, Invasive candidiasis, among others. Finally, a large number of hypothetical, a large number of hypothetical genes were identified as highly co-expressed with virulence genes, making them possible experimental targets.

A Mediation Model between Self-Esteem, Anxiety, and Depression in Sport: The Role of Gender Differences in Speleologists.

The scientific literature on mental health has found an association between physical activity and emotional wellbeing and recommends active leisure activities as a way of keeping stress under control. The purpose of this research study is to analyze the level of anxiety, the symptoms of depression and the level of self-esteem of people practicing speleology, as well as possible gender differences. This paper also attempts to understand whether self-esteem is associated with the presence of symptoms of depression in speleologists and whether anxiety has a mediating effect. We conduct a cross-sectional and descriptive research study with a sampling of 105 adult speleologists. The results reveal that the total mediation model is applicable, as self-esteem has a significant indirect association with depression through trait anxiety, as well as a partial mediation model that is applicable through state anxiety. This means that speleologists with high levels of self-esteem, who appreciate and value themselves adequately, reveal lower levels of trait anxiety, and this negatively influences their levels of depression (that is, a lower level of depressive symptoms). At the same time, speleologists with high levels of self-esteem, who appreciate and value themselves adequately, also reveal lower levels of state anxiety, which again has a negative impact on their levels of depression (with fewer symptoms of depression). Emotions such as anxiety, self-esteem, depression and their collateral effects are international topics of interest, which are relevant for people from all sporting backgrounds; therefore, value should be placed on supporting and carrying out further research into this topic.

Photoinduced Desorption Dynamics of CO from Pd(111): A Neural Network Approach.

Modeling the ultrafast photoinduced dynamics and reactivity of adsorbates on metals requires including the effect of the laser-excited electrons and, in many cases, also the effect of the highly excited surface lattice. Although the recent ab initio molecular dynamics with electronic friction and thermostats, (Te,Tl)-AIMDEF [Alducin, M.; Phys. Rev. Lett. 2019, 123, 246802], enables such complex modeling, its computational cost may limit its applicability. Here, we use the new embedded atom neural network (EANN) method [Zhang, Y.; J. Phys. Chem. Lett. 2019, 10, 4962] to develop an accurate and extremely complex potential energy surface (PES) that allows us a detailed and reliable description of the photoinduced desorption of CO from the Pd(111) surface with a coverage of 0.75 monolayer. Molecular dynamics simulations performed on this EANN-PES reproduce the (Te,Tl)-AIMDEF results with a remarkable level of accuracy. This demonstrates the outstanding performance of the obtained EANN-PES that is able to reproduce available density functional theory (DFT) data for an extensive range of surface temperatures (90-1000 K); a large number of degrees of freedom, those corresponding to six CO adsorbates and 24 moving surface atoms; and the varying CO coverage caused by the abundant desorption events.

Advanced feature selection to study the internationalization strategy of enterprises.

Firms face an increasingly complex economic and financial environment in which the access to international networks and markets is crucial. To be successful, companies need to understand the role of internationalization determinants such as bilateral psychic distance, experience, etc. Cutting-edge feature selection methods are applied in the present paper and compared to previous results to gain deep knowledge about strategies for Foreign Direct Investment. More precisely, evolutionary feature selection, addressed from the wrapper approach, is applied with two different classifiers as the fitness function: Bagged Trees and Extreme Learning Machines. The proposed intelligent system is validated when applied to real-life data from Spanish Multinational Enterprises (MNEs). These data were extracted from databases belonging to the Spanish Ministry of Industry, Tourism, and Trade. As a result, interesting conclusions are derived about the key features driving to the internationalization of the companies under study. This is the first time that such outcomes are obtained by an intelligent system on internationalization data.

The Role of Physical Activity and School Physical Education in Enhancing School Satisfaction and Life Satisfaction.

The aim of this study was to understand the role of school satisfaction on life satisfaction, according to gender, age, body mass index (BMI), and physical activity (PA) level. This was a cross-sectional descriptive study, carried out on 2823 adolescents (1396 boys and 1427 girls), aged between 12 and 16. A specific questionnaire to measure life satisfaction (Brief Multidimensional Student Life Satisfaction Scale (BMSLSS)), a questionnaire to measure satisfaction with school ("Life circumstances of Young people: School"), and the International Physical Activity Questionnaire (IPAQ) were used to analyze PA practice. Gender, age, and BMI were used as control variables. In general, the main results showed that school satisfaction had a clear role in life satisfaction. Similarly, the findings allowed us to conclude that the role of school satisfaction on life satisfaction was more evident in male school children, those who were older, or those who have a higher BMI. The regular practice of PA enhanced school satisfaction and its role on life satisfaction. Therefore, it is very important to assess the importance of school satisfaction as a determinant of quality of life and the adoption of healthy habits, recognizing the fundamental role of teachers in this regard.

The Association of Parental Interest in Entrepreneurship with the Entrepreneurial Interest of Spanish Youth.

As entrepreneurial interest is believed to represent a causal factor increasing entrepreneurship, research has begun to explore how family systems affect youth entrepreneurial interests. In the present study, we attempt to identify different types of family influence on the entrepreneurial interests of young people. A questionnaire was used to obtain data from 1633 Spanish adolescents (15 to 18 years old) and another questionnaire was used to obtain data from 839 parents. Principal component analysis identified unique family types and revealed that they have differential associations to entrepreneurial interest among youth. These findings reaffirm the influence of family on the entrepreneurial ecosystem and the promotion of an entrepreneurial family culture. This study further suggests that early attention should focus on the detection of entrepreneurial interest among youth so that actions can be implemented in the families to incentivize an entrepreneurial family culture.

The Influence of Physical Activity, Diet, Weight Status and Substance Abuse on Students' Self-Perceived Health.

The objective of this study was to determine the level and relationship between the self-perceived health of adolescents in relation to the level of practice of physical activity, adherence to the Mediterranean diet, weight status and consumption of substance abuse, such as alcohol and tobacco. A total of 516 adolescent students between the ages of 12 and 16 completed a series of questionnaires to assess their health, physical activity, compliance with the Mediterranean diet and alcohol and tobacco consumption. Adolescents who practice more physical activity have better health and greater adherence to the Mediterranean diet. The level of health is higher among adolescents with greater adherence to the Mediterranean diet, evidencing better health among those who consume less tobacco. These results show the need to involve the educational community, families and the media to promote healthy lifestyle habits that can help physical activity and sports professionals in the development of theoretical-practical proposals aimed at improving the health of students.

Safenectomía corta versus larga en el tratamiento de las várices primarias de los miembros inferiores / Short versus long saphenectomy in the treatment primary inferior limb varices

Introducción. El limitar la longitud de la extirpación (stripping) de la vena safena mayor al segmento insuficiente con base en los hallazgos de la ecografía Doppler a color, permite disminuir la morbilidad. Materiales y métodos. Se llevó a cabo un estudio prospectivo y aleatorio de 155 pacientes intervenidos durante 24 meses, de los cuales 74 fueron sometidos a una safenectomía corta y 81 a una safenectomía larga. Las variables evaluadas durante el seguimiento fueron: tipo de anestesia, porcentaje de atención ambulatoria, morbilidad quirúrgica, días de incapacidad temporal y recidivas varicosas. Los síntomas de afectación neurológica ligados a la safenectomía se evaluaron de forma temprana y a largo plazo. Resultados. El 91,6 % de los enfermos fueron intervenidos de forma ambulatoria, con un período de incapacidad temporal menor de tres semanas y 18 % de recidivas. El costo unitario de las intervenciones concertadas con el Sistema Público de Salud fue inferior a USD$ 950. La safenectomía corta tuvo mejores resultados que la larga en casi todos los parámetros estudiados, con menos días de ausencia laboral (18,2 Vs. 22,6; p=0,013), morbilidad (14,9 % Vs. 33,3 %; p=0,036) y secuelas neurológicas a la finalización del estudio (2 % Vs. 11,9 %; p=0,043). Discusión. La safenectomía clásica es una técnica útil, con excelentes resultados clínicos y estéticos, escasas complicaciones y bajo costo. En ausencia de insuficiencia distal del eje safeno, la safenectomía corta es de elección por su menor morbilidad

Background: Limited stripping from the great saphenous vein to the insufficient segment based on the Doppler color echography findings reduces morbidity. Material and methods: A prospective randomized study was conducted on 155 patients who underwent surgery over a 24 months period, of which 74 were subjected to limited saphenectomy and 81 to total saphenectomy. The monitored variables during the followed up were: type of anesthesia, percentage as ambulatory surgery, surgical morbidity, temporary disability days, and recurrent varicose veins. Symptoms of neurological disturbances linked to saphenectomy were evaluated early and also at long term followup. Results: 91.6% were operated on as outpatients, exhibiting shorter period of temporary disability (3 weeks) and 18% recurrence rate. The cost of the actions agreed with the Public Health System interventions tariff, less than $950 USD. The limited saphenectomy procedure appeared better than the total saphenectomy in almost all parameters studied, with fewer days of sick leave (18,2 vs 22,6 p=0.013), morbidity rate (14.9% vs 33.3% p=0.036), and neurological sequelae at completion of the study (2% vs 11.9% p=0.043). Discussion: The classical saphenectomy is a useful technique, with excellent clinical and cosmetic results, few complications and low cost. In the absence of distal saphenous insufficiency axis, the limited saphenectomy appears as the preferred procedure in view of its lower morbidity

A1BG and C3 are overexpressed in patients with cervical intraepithelial neoplasia III.

The present study aimed to analyze sera proteins in females with cervical intraepithelial neoplasia, grade III (CIN III) and in healthy control females, in order to identify a potential biomarker which detects lesions that have a greater probability of cervical transformation. The present study investigated five sera samples from females who were Human Papilloma Virus (HPV) 16+ and who had been histopathologically diagnosed with CIN III, as well as five sera samples from healthy control females who were HPV-negative. Protein separation was performed using two-dimensional (2D) gel electrophoresis and the proteins were stained with Colloidal Coommassie Blue. Quantitative analysis was performed using ImageMaster 2D Platinum 6.0 software. Peptide sequence identification was performed using a nano-LC ESIMS/MS system. The proteins with the highest Mascot score were validated using western blot analysis in an additional 55 sera samples from the control and CIN III groups. The eight highest score spots that were found to be overexpressed in the CIN III sera group were identified as α-1-B glycoprotein (A1BG), complement component 3 (C3), a pro-apolipoprotein, two apolipoproteins and three haptoglobins. Only A1BG and C3 were validated using western blot analysis, and the bands were compared between the two groups using densitometry analysis. The relative density of the bands of A1BG and C3 was found to be greater in all of the serum samples from the females with CIN III, compared with those of the individuals in the control group. In summary, the present study identified two proteins whose expression was elevated in females with CIN III, suggesting that they could be used as biomarkers for CIN III. However, further investigations are required in order to assess the expression of A1BG and C3 in different pre-malignant lesions.

Production of cellulases and xylanases under catabolic repression conditions from mutant PR-22 of Cellulomonas flavigena.

Derepressed mutant PR-22 was obtained by N-methyl-N'-nitro-N-nitrosoguanidine (MNNG) mutagenic treatment of Cellulomonas flavigena PN-120. This mutant improved its xylanolytic activity from 26.9 to 40 U mg(-1) and cellulolytic activity from 1.9 to 4 U mg(-1); this represented rates almost 2 and 1.5 times higher, respectively, compared to its parent strain growing in sugarcane bagasse. Either glucose or cellobiose was added to cultures of C. flavigena PN-120 and mutant PR-22 induced with sugarcane bagasse in batch culture. The inhibitory effect of glucose on xylanase activity was more noticeable for parent strain PN-120 than for mutant PR-22. When 20 mM glucose was added, the xylanolytic activity decreased 41% compared to the culture grown without glucose in mutant PR-22, whereas in the PN-120 strain the xylanolytic activity decreased by 49% at the same conditions compared to its own control. Addition of 10 and 15 mM of glucose did not adversely affect CMCase activity in PR-22, but glucose at 20 mM inhibited the enzymatic activity by 28%. The CMCase activity of the PN-120 strain was more sensitive to glucose than PR-22, with a reduction of CMCase activity in the range of 20-32%. Cellobiose had a more significant effect on xylanase and CMCase activities than glucose did in the mutant PR-22 and parent strain. Nevertheless, the activities under both conditions were always higher in the mutant PR-22 than in the PN-120 strain. Enzymatic saccharification experiments showed that it is possible to accumulate up to 10 g l(-1) of total soluble sugars from pretreated sugarcane bagasse with the concentrated enzymatic crude extract from mutant PR-22.

Tratamiento de las fracturas de tibia, por enclavijamiento cerrado con clavo de Küntcher / Treatment of tibial fractures by closed fixation with a Kuntscher nail

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The population level of Eotetranychus lewisi and the concentration of carbohydrates in peach trees.

Lewis spider mite Eotetranychus lewisi (McGregor) is the most important pest in peach orchards, Prunus persica (L.) (Batsch), in North-Central Mexico. In autumn 2003 and spring 2004, two glasshouse experiments were carried out to assess the influence of that mite on the concentration of total soluble sugars and starch in leaves, bark and roots of 'diamante mejorado' peach trees. Apical leaves of peach trees were inoculated with three mite densities per leaf: (A) 10-20, (B) 21-40, (C) 41-80; a mite-free control was added. In 2003, at 81 days after infestation (DAI), cumulative mite-days per leaf (CMD) were 153, 1313, 2844 and 4771 in control and treatments (A), (B) and (C), respectively. In the same order, these CMD caused reductions in total soluble sugars (TSS): in leaves, 45, 50 and 61%; in bark, 9, 20 and 33%; in roots, 8, 20 and 26%. Reductions of starch concentration in leaves were 17, 43 and 56%; in bark, 25, 55 and 32%; in roots, 17, 22 and 32%. In 2004, at 77 DAI and 57, 1043, 2426 and 3996 CMD for control and treatments (A), (B) and (C), respectively, resulting reductions of TSS were: in leaves, 3, 7 and 15%; in bark, 0.8, 3 and 5%; in roots, 57, 60 and 78%, whereas reductions in starch concentration were: in leaves, 30, 34 and 44%; in bark, 18, 24 and 41%; in roots, 17, 47 and 48%. The higher reductions in roots found in 2004 are attributed to cumulative injury affecting food reserves.

Localized Leishmaniasis of the oral mucosa. A report of three cases.

The term leishmaniasis comprises a group of diseases caused by different species of a protozoon called Leishmania. Leishmaniasis is found worldwide, and is considered to be endemic in 88 countries. There are three main clinical forms of leishmaniasis: visceral leishmaniasis, cutaneous leishmaniasis and mucocutaneous leishmaniasis. Exclusive involvement of the mucosa is very rare. We present a series of three cases of mucosal leishmaniasis located in the oral cavity. The fact that all three cases were recorded in Spain (an area where L. infantum is endemic), suggests that the latter was the causal agent. The only manifestation of leishmaniasis disease in the described cases was the appearance of an oral lesion. Treatment was provided in the form of meglumine antimoniate in two patients, with a favorable response. One of the patients left the hospital after diagnosis, without receiving treatment, and the subsequent course is not known. A review is made of the literature on the subject.

Gingival neurofibroma in a neurofibromatosis type 1 patient.

Neurofibroma is a benign peripheral nerve sheath tumour. It is one of the most frequent tumours of neural origin and its presence is one of the clinical criteria for the diagnosis of type 1 neurofibromatosis (NF-I). Neurofibromatosis type 1 is an autosomal dominantly inherited disease due to an alteration in the long arm of chromosome 17. About 50% of NF-I patients have no family history of the disease. NF-I patients have skin lesions (cafe au lait spots and neurofibromas) as well as bone malformations and central nervous system tumours. Diagnosis is based on a series of clinical criteria. Gingival neurofibroma in NF-I is uncommon. Treatment of neurofibromas is surgical resection. The aim of this paper is to report a case of NF-I with gingival involvement and to review the literature.