Voith (United States)

We present a set of Grand Challenges for predictive modeling in small molecule drug discovery, with the goal of defining, prioritizing, and quantifying the areas where computation can have transformative impact. Rather than offering another broad survey of methods, this paper articulates specific scientific and technical problems that limit progress today and proposes measurable criteria by which advances can be judged. Our objective is to align researchers, investors, and industry leaders around the challenges that matter most for advancing real drug discovery programs. This work seeks to broaden participation in drug discovery by providing a clear roadmap for contributors from the growing areas of artificial intelligence, machine learning, robotics, high-performance computing, and quantum computing, where tools are rapidly advancing but are often disconnected from the practical realities of medicinal chemistry and pharmacology. The insights presented here draw on extensive discussions with experienced drug hunters, computational method developers, and thought leaders across biotech, pharma, software, and venture capital, as well as lessons learned from our own drug discovery efforts. While there is substantial enthusiasm (particularly around AI) for revolutionizing drug discovery, this moment demands sharper problem definition. Without clearly articulated challenges and performance metrics, computational innovation risks optimizing for benchmarks rather than for translational impact. We therefore identify Grand Challenges across four domains: Chemistry, Structure, Energy, and Pharmacology. For each domain, we present a common framework: a well-defined challenge, the underlying physical principles, its relevance to drug discovery decision-making, the current state of the field, and quantitative metrics that define progress. By grounding computational ambition in concrete scientific problems, we aim to catalyze sustained, measurable advances rather than episodic waves of enthusiasm.

Введение. Роговица является неотъемлемой частью глазной поверхности и, будучи наружной оболочкой глаза, наиболее подвержена воздействию внешней среды. Воспалительные процессы передней поверхности глаза сопровождаются эпителиальными дефектами, что нередко приводит к рубцеванию, снижению прозрачности и потере зрительных функций вплоть до инвалидизации в 33–40% случаев. Цель. Оценить эффективность применения плазмы, обогащенной растворимыми факторами тромбоцитов (ПОРФТ/PRP), и 1% низкомолекулярного натрия гиалуроната (НМ-NaГ) у пациентов с воспалительными заболеваниями роговицы. Материалы и методы. В исследование включены 78 пациентов (85 глаз), разделенных на 2 группы согласно разработанному лечению. Всем пациентам с кератитом и кератоконъюнктивитом лечение проводилось согласно клиническому протоколу «Диагностика и лечение пациентов (взрослое население) с болезнями глаза и его придаточного аппарата» (далее – клинический протокол), утвержденному постановлением Министерства здравоохранения Республики Беларусь от 5 сентября 2022 г. № 91. В исследуемой группе дополнительно назначались инстилляции аллогенной ПОРФТ (1 капля 6 раз в сутки 5 дней) и субконъюнктивальные инъекции НМ-NaГ 0,3–0,5 мл трижды с интервалом 5 дней. Всем пациентам до начала лечения выполнено стандартное офтальмологическое обследование с оценкой гиперемии и площади инъекции склеры, наличия гнойного отделяемого, прозрачности роговицы, показателей слезной пленки (СП) и секрета мейбомиевых желез. Динамика фиксировалась в единые сроки по разработанному протоколу. Результаты. Значимые различия между группами выявлялись уже на 3-и сутки. В исследуемой группе биомикроскопически отмечались меньшая гиперемия и площадь инъекции склеры, а гнойное отделяемое из конъюнктивальной полости исчезало к 3-м суткам, в то время как в группе контроля данные показатели не наблюдались к 5-му дню. Показатели регенерации роговицы в группе исследования также были выше: статистически значимое улучшение прозрачности наблюдалось с 3-х суток, уменьшение размера дефекта – с 5-х. На 5-е сутки отмечалась положительная динамика состояния век и водного компонента СП, что отражает влияние активаторов регенерации не только на роговицу, но и на глазную поверхность в целом. Заключение. Результаты клинического исследования пациентов с кератитом и кератоконъюнктивитом подтвердили высокую эффективность комбинированного применения 1% НМ-NaГ и ПОРФТ в восстановлении структуры и прозрачности роговицы. Introduction. The cornea is an integral part of the ocular surface and, as the outermost layer of the eye, is the most exposed to environmental factors. Inflammatory processes of the anterior ocular surface are accompanied by epithelial defects, which often lead to scarring, reduced transparency, and loss of visual function, resulting in visual disability in 33–40% of cases. Aim. To evaluate the effectiveness of platelet-rich plasma containing soluble platelet factors (PRP) and 1% low-molecular-weight sodium hyaluronate (LM-NaH) in patients with inflammatory corneal diseases. Materials and methods. The study included 78 patients (85 eyes) divided into two groups according to the treatment protocol. All patients with keratitis and keratoconjunctivitis were treated according to the clinical protocol "Diagnostics and treatment of patients (adult population) with diseases of the eye and its adnexa" (hereinafter referred to as the clinical protocol), approved by the Resolution of the Ministry of Health of the Republic of Belarus dated September 5, 2022 No. 91. In the study group, additional therapy included instillation of allogeneic PRP (1 drop 6 times daily for 5 days) and subconjunctival injections of LM-NaH 0.3–0.5 mL three times at 5-day intervals. Before treatment, all patients underwent a standard ophthalmologic examination assessing scleral hyperemia and injection area, presence of purulent discharge, corneal transparency, tear film (TF) parameters, and meibomian gland secretions. The dynamics were recorded at the same time points according to the developed protocol. Results. Significant differences between the groups were observed as early as day 3. In the study group, biomicroscopy revealed less hyperemia and scleral injection area, and purulent discharge from the conjunctival sac resolved by day 3, whereas in the control group these changes were not observed until day 5. Corneal regeneration indices were also higher in the study group: statistically significant improvement in transparency was noted from day 3 and reduction of defect size from day 5. On day 5, positive dynamics were observed in eyelid condition and the aqueous component of the TF, reflecting the influence of regenerative activators not only on the cornea but also on the ocular surface as a whole. Conclusion. This clinical study in patients with keratitis and keratoconjunctivitis confirmed the high efficacy of combined use of 1% LM-NaH and PRP in restoring corneal structure and transparency.

A failure of the stator winding and core happens more often in service than it can be predicted during offline and online diagnostics. Failures in stator assembly can be caused by various factors mainly affecting its insulation system, including electrical, mechanical, and thermal stresses. Online stator failures machines rated above 100 MVA, may result in significant equipment downtime and repair costs. This paper outlines the methodology for effective investigation, repair and testing of stator failures to minimize the economic losses and extend useful life of the equipment following the failure. Moreover, asset management strategy is described to assist equipment owner/operator with full lifecycle management of the stator assembly.

The growing demand for natural skincare products has prompted the exploration of plant￾based ingredients for their therapeutic and cosmetic benefits. This study aimed to formulate and develop a natural face wash using carrot (Daucus carota), potato (Solanum tuberosum), and rose (Rosa damascena) extracts, which are known for their antioxidant, anti￾inflammatory, and antimicrobial properties. The extracts were obtained through hydro￾distillation and aqueous extraction methods, and the face wash was formulated using natural surfactants, preservatives, and thickening agents. The final product was evaluated for physicochemical properties, including pH, viscosity, spreadability, and foaming ability, as well as antimicrobial activity. Results indicated that the face wash exhibited a skin-friendly pH of 5.5, optimal viscosity, and excellent spreadability. The study concludes that carrot, potato, and rose extracts are effective natural ingredients for skincare formulations, offering a safe and eco-friendly alternative to synthetic products. This research highlights the potential of plant￾based extracts in the development of innovative and sustainable cosmetic products, aligning with the global shift toward natural and organic skincare solutions.

製紙業界は豊富な水資源があってこそ成り立っているということは言うまでもない。日本は地理的にも気候的にも水資源に恵まれ，製品1トン生産するのに必要な清水量を示す用水原単位は，半世紀前と比べると半分以下となっているものの，21世紀に入ってから横ばい状態が続き，世界と比較しても依然非常に多くの清水を使用していることが分かっている。一方で，今後もふんだんに水資源を使用できる環境が続く保証はなく，昨今の原材料費や薬品高騰に伴う生産コストの上昇やSDGs等を背景に用水やエネルギーの使用方法を見直す必要性が出てきている。

In many industrial applications, nonwoven fibre networks are facilitated to operate under partly saturated conditions, allowing for filtration, liquid absorption and liquid transport. Resolving the governing liquid distribution in loaded polyamide-6 (PA6) fibre networks using X-ray computed micro-tomography is a challenge due to the similar X-ray attenuation coefficients of water and PA6 and limitations in using background subtraction techniques if the network is deformed, which will be the case if subjected to compression. In this work, we developed a method using a potassium iodide solution in water to enhance the liquid’s attenuation coefficient without modifying the water’s rheological properties. Therefore, we studied the evolving liquid distribution in loaded and partly saturated PA6 fibre networks on the microscale. Increasing the external load applied to the network, we observed an exponential decrease in air content while the liquid content was constant, increasing the overall saturation with increasing network strain. Furthermore, the microstructural properties created by the punch-needle process in the manufacturing of the network significantly influenced the out-of-plane liquid distribution. The method has been proven helpful in understanding the results of adaptions in both the fibre network design and manufacturing process, allowing for investigating the resulting liquid distribution on a microscale.

原質工程では従来，異物の処理や仕込み量の調整などに主にタイマー制御を用いてきた。これは今まで，系内の繊維や排出すべき異物の情報をメタデータとして得る事が難しく，系内の情報をダイレクトに制御にフィードバックすることができなかったからである。昨今のセンシング技術の向上によりこれらの情報はすでにメタデータとして扱えることができるようになってきている。 Voith paperでは原質工程の従来の制御方式に焦点をあて，それらの調整を可能な限り自動化する‘Autonomous Stock Preparation’（自動化原質）の概念を提唱している。本稿では自動化原質を実現するためのいくつかの構成製品について紹介する。

Le livre de Victoire Feuillebois est consacré à Léon Tolstoï sous l’angle de ses activités pédagogiques.L’ouvrage est original à bien des égards. D’abord par son style, son ton, sa facture. Il est très bien écrit, dans un style alerte et léger, souvent humoristique, sur un mode résolument irrévérencieux, voire provocateur, ce qui, du reste, est à l’image de son modèle qui, c’est suffisamment connu, ne respectait ni vérités établies ni autorités. Le livre n’obéit guère aux canons des éditions...